AG0008BA

10276-09-2 | 3-Butenoic acid, 2,2-dimethyl-

AG0008BA

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CAS Number	10276-09-2
Catalog Number	AG0008BA(AGN-PC-0JMQKK)
Chemical Name	3-Butenoic acid, 2,2-dimethyl-
IUPAC Name	2,2-dimethylbut-3-enoic acid
InChI	InChI=1S/C6H10O2/c1-4-6(2,3)5(7)8/h4H,1H2,2-3H3,(H,7,8)
InChI Key	SCFWAOWWAANBPY-UHFFFAOYSA-N
MDL Number	MFCD00196967
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	CC(C)(C=C)C(O)=O
Synonyms	2,2-dimethylbut-3-enoic acid, 10276-09-2, 3-Butenoic acid, 2,2-dimethyl-, 2,2-DIMETHYL-BUT-3-ENOIC ACID, 2,2-Dimethyl-3-butenoic acid, SCFWAOWWAANBPY-UHFFFAOYSA-N, MFCD00196967, LMFA01020099, AC1L3EBB, SCHEMBL65091, CH2=CHC(CH3)2COOH, 3-Butenoic acid,2,2-dimethyl-, CTK4A1456, KS-00000OLT, DTXSID70145492, ZINC4566189, 0670AA, ANW-68287, AKOS006380127, ACN-034779, CS-W006345, DS-2557, AJ-51682, QC-10842, SC-72463, ST2403570, TX-016115, 4CH-017630, Z-6049, C6H10O2, CID139122, FA(6:1), C2093,

Complexity	114
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

Lot Number