Basic information
- CAS
63979-17-9- Standard SMILES
CC1c2ccccc2C(=O)CC1C(=O)O- InChIKey
WRZNZBDUIVUZNV-UHFFFAOYSA-N- Molecular formula
- C12H12O3
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.07864424
Names & identifiers
- Preferred name
- 1-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 1-methyl-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
- English name
- 1-Methyl-4-oxo-1,2,3,4-tetrahydro-2-naphthoic acid
- Molecular formula
- C12H12O3
- Molecular weight
- 204.22
Names & synonyms
63979-17-9DTXSID809815251-Methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidRefChem:1055811DTXCID501408795USAF ND-554-Methyl-1-tetralone-3-carboxylic acid2-NAPHTHOIC ACID, 1-METHYL-4-OXO-1,2,3,4-TETRAHYDRO-NSC112191(2H)-Naphthalenone, 3-carboxy-3,4-dihydro-4-methyl-3-Naphthoic acid, 1,2,3,4-tetrahydro-4-methyl-1-oxo-1-Methyl-4-oxo-1,2,3,4-tetrahydro-2-naphthoic acid
Show more names
2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-4-oxo-
NSC 11219NSC-11219DB-3015082-Naphthalenecarboxylic acid,2,3,4-tetrahydro-1-methyl-4-oxo-
Database identifiers
- CAS
63979-17-9- PubChem CID
- 45911
- DTXSID
DTXSID80981525- Nikkaji
- J61.678H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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