Consensus flow list

(r)-(2-chlorophenyl)-2-hydroxyacetic Acid

fo-d376105345523556

Identity

Type
NeutralMolecule
CAS
52950-18-2
EC
444-040-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for (r)-(2-chlorophenyl)-2-hydroxyacetic Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string RWOLDZZTBNYTMS-SSDOTTSWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string O=C(O)[C@H](O)c1ccccc1Cl
IUPAC name chemrof:IUPAC_name (r)-(2-chlorophenyl)-2-hydroxyacetic Acid
Molecular formula chemrof:molecular_formula C8H7ClO3
Molecular mass chemrof:molecular_mass 186.594
Monoisotopic mass chemrof:monoisotopic_mass 186.008372
SMILES string chemrof:smiles_string O=C(O)C(O)c1ccccc1Cl

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=52950-18-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10369958 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.595.441H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2733641 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72452933 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
36285303-7000-42a2-8a85-867b0eedc842 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
3223b5b4-8a31-4fe3-82e6-40ff2c45f952 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c3c7888f-c97c-42b1-ab60-09e3366d7bd1 Environmental → Air → Indoor EF 3.1 kg 4
156d211a-54ba-41d7-93a9-aab25c46ca3d Environmental → Air → Long-term EF 3.1 kg 0
faf9d991-5a10-4b84-a797-05e1a69a9eb2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
28462eb5-2599-461b-83db-6fe512b52c95 Environmental → Air → Unknown EF 3.1 kg 4
3282cfbe-3415-45bd-8a8e-0fe2cd182380 Environmental → Ground → Agricultural EF 3.1 kg 4
b467fb0a-3994-476e-b479-37d380271ee5 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c964b43e-674b-4f84-821a-451942531f11 Environmental → Ground → Unknown EF 3.1 kg 4
ec955bd8-f8d7-468c-91e0-c1651584b01e Environmental → Water → Long-term EF 3.1 kg 0
00d6b065-3b4c-488f-9244-e2502f506045 Environmental → Water → Ocean EF 3.1 kg 4
e7f2273a-498f-4201-9bc5-84c8ad43d6c1 Environmental → Water → Surface water EF 3.1 kg 4
c86835b2-85aa-43ba-9e41-ba4707e19c38 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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