4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

C7H7ClO4 — CID 53427142

IUPAC4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=C(Cl)C(O)C1O
InChIInChI=1S/C7H7ClO4/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,5-6,9-10H,(H,11,12)
InChIKeyHLOVYSNZOSWZCM-UHFFFAOYSA-N
MW190.58 g/mol
LogP-0.14
Rot. Bonds1

About 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid (PubChem CID 53427142) has the molecular formula C7H7ClO4 and a molecular weight of 190.58 g/mol. Its IUPAC name is 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
PubChem CID53427142
Molecular FormulaC7H7ClO4
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
SMILESO=C(O)C1=CC=C(Cl)C(O)C1O
InChIInChI=1S/C7H7ClO4/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,5-6,9-10H,(H,11,12)
InChIKeyHLOVYSNZOSWZCM-UHFFFAOYSA-N
XLogP-0.14
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6R)-4-ethyl-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 11886823
(5R,6S)-3,4-dichloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 1268193
(1S,2R)-3-chloro-6-iodocyclohexa-3,5-diene-1,2-diol
CID 23251845
6-chloro-5-hydroxybicyclo[4.1.0]hepta-2,4-diene-2-carboxylic acid
CID 141006592
5-(chloromethylidene)-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 154104018
(1S)-2-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 67478277
bicyclo[4.2.0]octa-2,4,7-triene-2,5-dicarbonyl chloride
CID 87131779
2-(2,5-dichlorocyclohexa-2,4-dien-1-yl)acetic acid
CID 121339428
5,6-dichloro-4,5,6-trideuteriocyclohexa-1,3-diene-1-carboxylic acid
CID 131701176
3,5,6-trichlorobenzene-1,2,4-tricarboxylic acid
CID 13084164
(2R)-3-amino-2-hydroxy-2,3-dihydrooxepine-4-carboxylic acid
CID 146680848
2-carbamoyl-5-chlorobenzoic acid
CID 57087443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The IUPAC name of 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid (CID 53427142) is 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The canonical SMILES for 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is O=C(O)C1=CC=C(Cl)C(O)C1O.
What is the InChIKey of 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
The InChIKey is HLOVYSNZOSWZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,5-6,9-10H,(H,11,12).
What are the key properties of 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid?
4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid has a molecular weight of 190.58 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 53427142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).