AG0053VF

790-83-0 | 4,4'-Methylenedibenzoic acid

AG0053VF

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CAS Number	790-83-0
Catalog Number	AG0053VF(AGN-PC-0JOUWE)
Chemical Name	4,4'-Methylenedibenzoic acid
IUPAC Name	4-[(4-carboxyphenyl)methyl]benzoic acid
InChI	InChI=1S/C15H12O4/c16-14(17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChI Key	VTDMBRAUHKUOON-UHFFFAOYSA-N
MDL Number	MFCD00060322
Molecular Formula	C15H12O4
Molecular Weight	256.2534
SMILES	O=C(C1=CC=C(CC2=CC=C(C(O)=O)C=C2)C=C1)O
Synonyms	790-83-0, 4,4'-methylenedibenzoic acid, Diphenylmethane-4,4'-dicarboxylic acid, 4-[(4-carboxyphenyl)methyl]benzoic acid, Benzoicacid, 4,4'-methylenebis-, p,p'-Methylenedibenzoic acid, AC1L7PFH, 4,4-methylenedibenzoic acid, SCHEMBL68390, Benzoicacid,4,4'-methylenebis-, CTK2H7050, DTXSID30310785, ZINC1759946, 9801AE, MFCD00060322, Diphenylmethane-4,4-dicarboxylic acid, AKOS025309996, FT-0676246, Y-8948, A839577, C-44820, 4,4'-METHYLENEDIBENZOICACID, C15H12O4, CID314352, DIPHENYLMETHANE-4,4'-DICARBOXYLICACID,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.074g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.257g/mol
Monoisotopic Mass	256.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number