AG003TRJ

2528-16-7 | 2-((Benzyloxy)carbonyl)benzoic acid

AG003TRJ

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CAS Number	2528-16-7
Catalog Number	AG003TRJ(AGN-PC-0LO0D0)
Chemical Name	2-((Benzyloxy)carbonyl)benzoic acid
EC Number	219-771-1
IUPAC Name	2-phenylmethoxycarbonylbenzoic acid
InChI	InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChI Key	XIKIUQUXDNHBFR-UHFFFAOYSA-N
MDL Number	MFCD00020279
Molecular Formula	C15H12O4
Molecular Weight	256.2534
NSC Number	402008
SMILES	O=C(OCC1=CC=CC=C1)C2=CC=CC=C2C(O)=O
UNII	27NM8BNV1K
Synonyms	mono-benzyl phthalate, mono-benzyl phthalate, calcium salt, phthalic acid monobenzyl ester, Monobenzyl phthalate, 2528-16-7, Phthalic Acid Monobenzyl Ester, Mono-benzyl phthalate, Benzyl hydrogen phthalate, 2-((Benzyloxy)carbonyl)benzoic acid, Mono-n-benzyl phthalate, UNII-27NM8BNV1K, Phthalic acid, benzyl ester, 2-[(Benzyloxy)carbonyl]benzoic acid, 1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester, NSC 402008, Mono(phenylmethyl) 1,2-benzenedicarboxylate, EINECS 219-771-1, 27NM8BNV1K, 2-(benzyloxycarbonyl)benzoic acid, 2-phenylmethoxycarbonylbenzoic acid, Benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester, Benzene-1,2-dicarboxylic acid, monobenzyl ester, 1,2-Benzenedicarboxylic acid, 1-(phenylmethyl) ester, 2-[benzyloxycarbonyl]benzoic acid, Phthalicacidmonobenzylester, MBeP, ACMC-20ajvz, Phthalic acid 1-benzyl, ChemDiv3_000594, Phthalic Acid Benzyl Ester, DSSTox_CID_23938, DSSTox_RID_80091, 1, mono(phenylmethyl) ester, BIDD:PXR0040, DSSTox_GSID_43938, CBDivE_003018, MLS000104449, SCHEMBL116566, AC1L1M88, AC1Q724I, Phthalic acid mono benzyl ester, CHEMBL1466083, DTXSID9043938, CTK4F5368, o-(benzyloxycarbonyl)benzoic acid, ZINC97700, CHEBI:132612, XIKIUQUXDNHBFR-UHFFFAOYSA-N, HMS1474K22, HMS2300N14, Tox21_300626, MFCD00020279, NSC402008, STK524189, AKOS001570006, 2-[(Benzyloxy)carbonyl]benzoic acid #, ACM2528167, CS-W012564, MCULE-4535236203, NSC-402008, TRA-0191691, NCGC00080394-02, NCGC00254352-01, AJ-11048, AS-47938, CC-33767, LS-29785, mono-Benzyl phthalate, analytical standard, SMR000054384, ST037064, CAS-2528-16-7, DB-046661, ST4012661, TC-165446, FT-0634345, P1191, A18530, C-15922, SR-01000399402, 1,2-Benzenedicarboxylicacid, 1-(phenylmethyl) ester, J-015907, SR-01000399402-1, 1,2-Benzenedicarboxylic Acid 1-(Phenylmethyl) Ester, 1,2-Benzenedicarboxylic Acid Mono(phenylmethyl) Ester, BRD-K83275418-001-01-7, I14-61646, A0654/0030415, MBzP, mono-benzylphthalate, MBzP (Mono-benzyl phthalate), CID31736, mono-benzyl phthalate, calcium salt, C15-H12-O4, C103325, Monobenzyl phthalate, 98%, analytical standard - 100MG 100mg,

Complexity	320
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	1
Isotope Atom Count	0
Molecular Weight	256.257g/mol
Monoisotopic Mass	256.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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