AG003BAN

21983-72-2 | 2-​Butanone, 3,​3-​dimethoxy-

AG003BAN

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CAS Number	21983-72-2
Catalog Number	AG003BAN(AGN-PC-0JMRMC)
Chemical Name	2-​Butanone, 3,​3-​dimethoxy-
IUPAC Name	3,3-dimethoxybutan-2-one
InChI	InChI=1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3
InChI Key	UFQBSPGKRRSATO-UHFFFAOYSA-N
MDL Number	MFCD00075266
Molecular Formula	C6H12O3
Molecular Weight	132.1577
SMILES	C(C(=O)C)(OC)(OC)C
Synonyms	3,3-Dimethoxybutan-2-one, 21983-72-2, 3,3-Dimethoxy-2-butanone, 2-Butanone, 3,3-dimethoxy-, UFQBSPGKRRSATO-UHFFFAOYSA-N, 3,3-Dimethoxy-2-butanone, 98%, ACMC-20aa6y, AC1L3HVK, 3.3-dimethoxy-2-butanone, 3,3-Dimethoxy-2-oxobutane, 3,3-dimethoxy-butan-2-one, KSC495E8L, SCHEMBL318619, AC1Q44F4, CTK3J5285, KS-00000NCJ, DTXSID50176401, ZINC2545349, ANW-64136, MFCD00075266, SBB056465, AKOS000117969, CS-W011092, GS-3252, MCULE-1748868627, RTC-020536, TRA0073972, AJ-39300, AK-48039, BR-48039, CJ-09266, SC-44224, AB0001331, DB-032118, ST2417215, TC-020536, 4CH-015392, AM20090206, FT-0650174, V0397, EN300-27601, A23162, S-1609, 983D722, J-014394, I14-15198, Z241119144, C6H12O3, CID140871,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.159g/mol
Monoisotopic Mass	132.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H226
Precautionary statements

Certificate of Analysis

Lot Number