AG0085Y3

103203-83-4 | BENZOIC ACID, 3-(2-PROPENYLOXY)-

AG0085Y3

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CAS Number	103203-83-4
Catalog Number	AG0085Y3(AGN-PC-0LU53O)
Chemical Name	BENZOIC ACID, 3-(2-PROPENYLOXY)-
IUPAC Name	3-prop-2-enoxybenzoic acid
InChI	InChI=1S/C10H10O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h2-5,7H,1,6H2,(H,11,12)
InChI Key	ZMEBKXNYMWXFEX-UHFFFAOYSA-N
MDL Number	MFCD00527900
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	O=C(O)C1=CC=CC(OCC=C)=C1
Synonyms	3-(allyloxy)benzoic acid, 3-Allyloxy-benzoic acid, 103203-83-4, Benzoic acid, 3-(2-propenyloxy)-, 3-prop-2-enyloxybenzoic acid, BAS 08766995, AC1O5GLJ, 3-prop-2-enoxybenzoic acid, ACMC-20e349, 3-(2-propenyloxy)benzoic acid, SCHEMBL1668739, CTK0G7185, DTXSID80424346, ZMEBKXNYMWXFEX-UHFFFAOYSA-N, ZINC6667694, ZX-CM002513, 7745AC, MFCD00527900, SBB010624, 3-(Allyloxy)benzoic acid, AldrichCPR, AKOS000186743, BBV-078615, MCULE-9268354968, RTR-044917, AJ-56590, BP-10764, OR322227, TR-044917, ST50321067, W-7264, 4003590-25G, C10H10O3, CID6483884,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number