3-Benzoyl-2-naphthoic acid
Basic information
- CAS
38119-08-3- Standard SMILES
O=C(O)c1cc2ccccc2cc1C(=O)c1ccccc1- InChIKey
GDYNSPPOLCIHSP-UHFFFAOYSA-N- Molecular formula
- C18H12O3
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.07864424
Names & identifiers
- Preferred name
- 3-Benzoyl-2-naphthoic acid
- IUPAC
- 3-benzoylnaphthalene-2-carboxylic acid
- English name
- 3-BENZOYL-2-NAPHTHOIC ACID
- Molecular formula
- C18H12O3
- Molecular weight
- 276.29
Names & synonyms
3-Benzoyl-2-naphthoic acid2-Naphthalenecarboxylic acid, 3-benzoyl-U18XME6NZSDTXSID10680673-BENZOYL-2-NAPHTHALENECARBOXYLIC ACIDRefChem:93042DTXCID0039437253-786-438119-08-33-benzoylnaphthalene-2-carboxylic acidEINECS 253-786-4UNII-U18XME6NZS
Show more names
3-Benzoyl-2-napthoicacid
SCHEMBL7821719GDYNSPPOLCIHSP-UHFFFAOYSA-NNS00030338
Database identifiers
- CAS
38119-08-3- PubChem CID
- 170002
- DTXSID
DTXSID1068067- UNII
- U18XME6NZS
- EC Number
- 253-786-4
- Nikkaji
- J89.205J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 18 XME6NZS · U18XME6NZS
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 3-benzoyl- (38119-08-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 3-benzoyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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