cis-1,3-Cyclopentanedicarboxylic acid

HCID 238129

Notes Reactions

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Basic information

CAS: 876-05-1
Standard SMILES: O=C(O)[C@@H]1CC[C@H](C(=O)O)C1
InChIKey: LNGJOYPCXLOTKL-SYDPRGILSA-N
Molecular formula: C7H10O4
Average molar mass: 158.15 g/mol
Monoisotopic mass: 158.0579088

Names & identifiers

Preferred name: cis-1,3-Cyclopentanedicarboxylic acid
IUPAC: cis-(1R,3S)-cyclopentane-1,3-dicarboxylic acid
English name: (1S,3R)-cyclopentane-1,3-dicarboxylic acid
Molecular formula: C7H10O4
Molecular weight: 158.15

Names & synonyms

cis-1,3-Cyclopentanedicarboxylic acidRefChem:126383876-05-1(1R,3S)-Cyclopentane-1,3-dicarboxylic acidcis-cyclopentane-1,3-dicarboxylic acid(1S,3R)-cyclopentane-1,3-dicarboxylic acidrel-(1R,3S)-1,3-Cyclopentanedicarboxylic acidMFCD01311175cis-Norcamphoric acidrel-(1R,3S)-cyclopentane-1,3-dicarboxylic acid1,3-Cyclopentanedicarboxylic acid, cis-SCHEMBL1286869

Show more names

cis-1,3-Dicarboxycyclopentane1,3-Cyclopentanedicarboxylic acid, (1R,3S)-rel-cis-cyclopentane-1,3-dicarboxylic acid - [C87676]

DTXSID40285571LNGJOYPCXLOTKL-SYDPRGILSA-NAAA87605NSC42324NSC45402NSC-42324NSC-45402ZB1687

Database identifiers

CAS: 876-05-1
PubChem CID: 238129
DTXSID: DTXSID40285571
Nikkaji: J79.997A

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 121 °C · 121°C
Boiling point: 243.22 °C · 243.22°C (rough estimate)
Density: 1.2605 · 1.2605 (rough estimate)
refractive index: 1.64 · 1.6400 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly, Heated), Water (Slightly)
form: Solid
pka: 1 · pK1:4.26;pK2:5.51 (25°C)
color: Off-White to Pale Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2917200090 · 2917200090

Safety & regulation

Safety data

hs_code: 2917200090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses(1R,3S)-Cyclopentane-1,3-dicarboxylic Acid is used in preparation of bis(Amino Acid) derivatives as inhibitors of human immunodeficiency virus replication and use for treatment of HIV infection.