2-Methyl-1-naphthalenecarboxylic acid

HCID 74091CAS 1575-96-8

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Basic information

Standard SMILES: Cc1ccc2ccccc2c1C(=O)O
InChIKey: ZSPDYGICHBLYSD-UHFFFAOYSA-N
Molecular formula: C12H10O2
Average molar mass: 186.21 g/mol
Monoisotopic mass: 186.06807956

Names & identifiers

Preferred name: 2-Methyl-1-naphthalenecarboxylic acid
IUPAC: 2-methylnaphthalene-1-carboxylic acid
English name: 2-Methyl-1-naphthoic acid
Molecular formula: C12H10O2
Molecular weight: 186.21

Names & synonyms

2-Methyl-1-naphthoic acid1575-96-8DTXSID801662742-methyl-1-naphthalenecarboxylic acid3F4VMR6S5XRefChem:1063642DTXCID4088765216-405-22-Methylnaphthalene-1-carboxylic acidMFCD000896181-Naphthalenecarboxylic acid, 2-methyl-SCHEMBL224932

Show more names

RARECHEM AL BE 08682-METHYL-1-NAPHTOIC ACID2-Methyl-1-naphthoic acid 97%2-Methyl-naphthalen-1-carboxylic acid4-hydroxy-6-methylbenzene-1,3-disulfonic acid

2-methyl-naphthalene-1-carboxylic acidNS-01683D703242-methylnaphthalene-1-carboxylicacidEINECS 216-405-2FT-06336772-Methylnaphthalin-1-carb1-Naphthoic acid, 2-methyl-

Database identifiers

CAS: 1575-96-8
PubChem CID: 74091
DTXSID: DTXSID80166274
UNII: 3F4VMR6S5X
EC Number: 216-405-2
Nikkaji: J135.426D

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 123 · 123-127 °C (lit.)
storage temp.: Sealed in dry,Room Temperature
form: solid
Appearance: Off-white to light brown Solid
InChI: 1S/C12H10O2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: ZSPDYGICHBLYSD-UHFFFAOYSA-N
SMILES: Cc1ccc2ccccc2c1C(O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 13 · 13 - Non Combustible Solids