CAS 1643-43-2 5H-Dibenzo(A,D)cyclohepten-5-ylacetic acid (HCID 3830563)

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Basic information

CAS: 1643-43-2
Standard SMILES: O=C(O)CC1c2ccccc2C=Cc2ccccc21
InChIKey: JGDQIBDRPQXSJO-UHFFFAOYSA-N
Molecular formula: C17H14O2
Average molar mass: 250.29 g/mol

Names & identifiers

Preferred name: 5H-Dibenzo(A,D)cyclohepten-5-ylacetic acid
IUPAC: 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetic acid

Names & synonyms

1643-43-25H-dibenzo[a,d]cyclohepten-5-ylacetic acid5H-Dibenzo(A,D)cyclohepten-5-ylacetic acidRefChem:538276665-143-92-(5H-Dibenzo[a,d][7]annulen-5-yl)acetic acidMLS001242853SCHEMBL7589860CHEMBL1354544JGDQIBDRPQXSJO-UHFFFAOYSA-NHMS2204A08HMS3336O22

Show more names

AKOS024328118SMR0008413455H-Dibenzo[a,d]cycloheptene-5-acetic acid

Database identifiers

CAS: 1643-43-2
PubChem CID: 3830563
ChEMBL: CHEMBL1354544
EC Number: 665-143-9

Properties

Computed structural propertiesFilling in

XLogP: 3.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 334

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.