AG003KT8

97888-80-7 | 4-Benzyloxy-3,5-dimethylbenzoic acid

AG003KT8

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CAS Number	97888-80-7
Catalog Number	AG003KT8(AGN-PC-0KK6AT)
Chemical Name	4-Benzyloxy-3,5-dimethylbenzoic acid
IUPAC Name	3,5-dimethyl-4-phenylmethoxybenzoic acid
InChI	InChI=1S/C16H16O3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChI Key	JABUPJCJZZNUFK-UHFFFAOYSA-N
MDL Number	MFCD00272572
Molecular Formula	C16H16O3
Molecular Weight	256.2964
SMILES	O(CC1C=CC=CC=1)C1C(C)=CC(C(O)=O)=CC=1C
Synonyms	4-BENZYLOXY-3,5-DIMETHYLBENZOIC ACID, 97888-80-7, 4-(benzyloxy)-3,5-dimethylbenzoic acid, MFCD00272572, 4-benzyloxy-3,5-dimethyl-benzoic acid, 3,5-dimethyl-4-(phenylmethoxy)benzoic acid, AC1MC04K, AC1Q2GX7, SCHEMBL262646, CTK5H9561, DTXSID00370073, JABUPJCJZZNUFK-UHFFFAOYSA-N, 4-benzyloxy-3,5-dimethyl-benzoate, ZINC2564421, ANW-45538, CB-239, SBB067193, AKOS009156645, BBV-213170, 3,5-dimethyl-4-phenylmethoxybenzoic acid, AJ-41032, AK-29634, AN-34710, CC-18038, L648, AX8016368, DB-057692, ST2405564, TR-030261, FT-0617652, ST50405819, 4-Benzyloxy-3,5-dimethylbenzoic acid, AldrichCPR, 888B807, C-15943, C16H16O3, CID2733993, 3,5-dimethyl-4-phenylmethoxy-benzoic Acid,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.11g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.301g/mol
Monoisotopic Mass	256.11g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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

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