AG007KLE

28447-20-3 | 3-Vinylbenzoic acid

AG007KLE

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CAS Number	28447-20-3
Catalog Number	AG007KLE(AGN-PC-0LB4JB)
Chemical Name	3-Vinylbenzoic acid
IUPAC Name	3-ethenylbenzoic acid
InChI	InChI=1S/C9H8O2/c1-2-7-4-3-5-8(6-7)9(10)11/h2-6H,1H2,(H,10,11)
InChI Key	VWXZFDWVWMQRQR-UHFFFAOYSA-N
MDL Number	MFCD00157038
Molecular Formula	C9H8O2
Molecular Weight	148.1586
SMILES	C(=O)(O)c1cc(C=C)ccc1
Synonyms	3-Vinylbenzoic acid, 28447-20-3, MFCD00157038, 3-ethenylbenzoic Acid, 3-vinyl benzoic acid, 3-Ethenyl-benzoic acid, Benzoic acid,3-ethenyl-, Benzoic acid, 3-ethenyl-, AC1NB68U, 3-Vinylbenzoic acid, 96%, SCHEMBL15036, CTK4G1426, DTXSID10403301, VWXZFDWVWMQRQR-UHFFFAOYSA-N, ZINC403410, AKOS006223966, MCULE-5574692885, KS-0000100T, AJ-22080, AS-47796, SC-48202, AB1008259, ST2405187, TX-016795, 4CH-018686, AM20040091, FT-0692281, ST51036733, I01-9850, null, 3-VINYLBENZOICACID, Benzoic acid, 3-ethenyl- (9CI), ACN-041724, CID4438231,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.161g/mol
Monoisotopic Mass	148.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number