AG003AFM

6158-54-9 | Benzoic acid, 4-benzoyl-, methyl ester

AG003AFM

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CAS Number	6158-54-9
Catalog Number	AG003AFM(AGN-PC-0JMJQH)
Chemical Name	Benzoic acid, 4-benzoyl-, methyl ester
IUPAC Name	methyl 4-benzoylbenzoate
InChI	InChI=1S/C15H12O3/c1-18-15(17)13-9-7-12(8-10-13)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChI Key	UPXFXAMIFNGJLD-UHFFFAOYSA-N
MDL Number	MFCD00197207
Molecular Formula	C15H12O3
Molecular Weight	240.2540
NSC Number	409445
SMILES	C(C1=CC=CC=C1)(=O)C1=CC=C(C(=O)OC)C=C1
Synonyms	Methyl 4-benzoylbenzoate, Methyl p-benzoyl benzoate, 6158-54-9, Benzoic acid, 4-benzoyl-, methyl ester, Benzoic acid, p-benzoyl-, methyl ester, Methyl 4-benzophenonecarboxylate, UPXFXAMIFNGJLD-UHFFFAOYSA-N, methyl p-benzoylbenzoate, AC1L8B8J, Methyl 4-benzoylbenzoate #, 4-Benzoylbenzoic acid methyl, SCHEMBL695012, CTK8J6596, DTXSID20325247, Methyl 4-(phenylcarbonyl)benzoate, 4-benzoylbenzoic acid methyl ester, 4-benzoyl-benzoic acid methyl ester, ZINC1601902, NSC409445, NSC-409445, Benzoic acid, methyl ester, CID349620,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.079g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.258g/mol
Monoisotopic Mass	240.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number