8-(Hydroxymethyl)naphthalene-1-carboxylic acid

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Basic information

CAS: 29368-37-4
Standard SMILES: O=C(O)c1cccc2cccc(CO)c12
InChIKey: IGZYCTPBTCHMIT-UHFFFAOYSA-N
Molecular formula: C12H10O3
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.06299418

Names & identifiers

Preferred name: 8-(Hydroxymethyl)naphthalene-1-carboxylic acid
IUPAC: 8-(hydroxymethyl)naphthalene-1-carboxylic acid
English name: 8-Hydroxymethyl-naphthalene-1-carboxylic acid
Molecular weight: 0

Names & synonyms

29368-37-48-(Hydroxymethyl)-1-naphthoic acid8-(HYDROXYMETHYL)NAPHTHALENE-1-CARBOXYLIC ACID8-HYDROXYMETHYL-NAPHTHALENE-1-CARBOXYLICACIDSCHEMBL14889791DTXSID30652354DB-350905CS-0090780

Database identifiers

CAS: 29368-37-4
PubChem CID: 29943643
DTXSID: DTXSID30652354
Nikkaji: J465.313K

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

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