(Z)-2-chloro-4-hydroxypent-2-enedioic acid

C5H5ClO5 — CID 101007993

IUPAC(Z)-2-chloro-4-hydroxypent-2-enedioic acid
SMILESO=C(O)/C(Cl)=C/C(O)C(=O)O
InChIInChI=1S/C5H5ClO5/c6-2(4(8)9)1-3(7)5(10)11/h1,3,7H,(H,8,9)(H,10,11)/b2-1-
InChIKeyABPSSMPCDUPUEX-UPHRSURJSA-N
MW180.54 g/mol
LogP-0.36
Rot. Bonds3

About (Z)-2-chloro-4-hydroxypent-2-enedioic acid

(Z)-2-chloro-4-hydroxypent-2-enedioic acid (PubChem CID 101007993) has the molecular formula C5H5ClO5 and a molecular weight of 180.54 g/mol. Its IUPAC name is (Z)-2-chloro-4-hydroxypent-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2-chloro-4-hydroxypent-2-enedioic acid
PubChem CID101007993
Molecular FormulaC5H5ClO5
Molecular Weight180.54 g/mol
Exact Mass179.98
IUPAC Name(Z)-2-chloro-4-hydroxypent-2-enedioic acid
SMILESO=C(O)/C(Cl)=C/C(O)C(=O)O
InChIInChI=1S/C5H5ClO5/c6-2(4(8)9)1-3(7)5(10)11/h1,3,7H,(H,8,9)(H,10,11)/b2-1-
InChIKeyABPSSMPCDUPUEX-UPHRSURJSA-N
XLogP-0.36
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,4,4-trichlorobut-2-enoic acid
CID 18362144
(E)-4-chloro-2-hydroxypent-3-enoic acid
CID 87704330
(E)-2-chloro-3-hydroxyprop-2-enoic acid
CID 55302917
2,3-dichloroprop-2-enoic acid;hydrochloride
CID 173046582
1-(2-carboxy-2-chloroethenyl)cyclopropane-1-carboxylic acid
CID 88684480
2,3-dichloroprop-2-enoic acid;ethane-1,2-diol
CID 173459791
2-chlorohexa-2,4-dienoic acid
CID 54548904
(E)-2-chloro-3-cyclopropylprop-2-enoic acid
CID 129220428
(2Z,4E)-2-chlorohexa-2,4-dienoic acid
CID 14647350
2-amino-5-chlorohexa-2,4-dienedioic acid
CID 25203528
(Z)-2-hydroxyhex-3-enedioic acid
CID 134158770
(Z)-2-chloro-3-(2,3,4,5,6-pentachlorophenyl)prop-2-enoic acid
CID 173451875

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-4-hydroxypent-2-enedioic acid?
The IUPAC name of (Z)-2-chloro-4-hydroxypent-2-enedioic acid (CID 101007993) is (Z)-2-chloro-4-hydroxypent-2-enedioic acid.
What is the SMILES notation for (Z)-2-chloro-4-hydroxypent-2-enedioic acid?
The canonical SMILES for (Z)-2-chloro-4-hydroxypent-2-enedioic acid is O=C(O)/C(Cl)=C/C(O)C(=O)O.
What is the InChIKey of (Z)-2-chloro-4-hydroxypent-2-enedioic acid?
The InChIKey is ABPSSMPCDUPUEX-UPHRSURJSA-N. The full InChI is InChI=1S/C5H5ClO5/c6-2(4(8)9)1-3(7)5(10)11/h1,3,7H,(H,8,9)(H,10,11)/b2-1-.
What are the key properties of (Z)-2-chloro-4-hydroxypent-2-enedioic acid?
(Z)-2-chloro-4-hydroxypent-2-enedioic acid has a molecular weight of 180.54 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-4-hydroxypent-2-enedioic acid is sourced from PubChem (CID 101007993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).