CAS 75885-59-5 2,2-Dimethylcyclopropane-1-carboxylic acid (HCID 260708)

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Basic information

CAS: 75885-59-5
Standard SMILES: CC1(C)CC1C(=O)O
InChIKey: BFNMOMYTTGHNGJ-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: 2,2-Dimethylcyclopropane-1-carboxylic acid
IUPAC: 2,2-dimethylcyclopropane-1-carboxylic acid
English name: 2,2-Dimethyl-1-cyclopropanecarboxylic acid
Molecular weight: 0

Names & synonyms

2,2-dimethylcyclopropane-1-carboxylic acidRefChem:441420811-960-22,2-dimethylcyclopropanecarboxylic acid75885-59-52,2-Dimethyl cyclopropyl carboxylic acidMFCD04972493931-26-02,2-Dimethylcyclopropylcarboxylic acid2,2-dimethyl-1-cyclopropanecarboxylic acidNSC92357NCIOpen2_001340

Show more names

SCHEMBL294740SCHEMBL7634701DTXSID60293799NSC-92357SBB0534592,2-dimethylcyclopropanecarboxylicacid22-Dimethylcyclopropanecarboxylic acidAKOS005217436

Database identifiers

CAS: 75885-59-5、931-26-0
PubChem CID: 260708
DTXSID: DTXSID60293799
EC Number: 811-960-2
Nikkaji: J43.072B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 126

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.