AG00IATF

61173-96-4 | 2-Butanone, 1-(4-methoxyphenyl)-3-methyl-

AG00IATF

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CAS Number	61173-96-4
Catalog Number	AG00IATF(AGN-PC-0NIGKY)
Chemical Name	2-Butanone, 1-(4-methoxyphenyl)-3-methyl-
IUPAC Name	1-(4-methoxyphenyl)-3-methylbutan-2-one
InChI	InChI=1S/C12H16O2/c1-9(2)12(13)8-10-4-6-11(14-3)7-5-10/h4-7,9H,8H2,1-3H3
InChI Key	KPGZXYRRKXSCQK-UHFFFAOYSA-N
MDL Number	MFCD11935284
Molecular Formula	C12H16O2
Molecular Weight	192.2542
SMILES	CC(C)C(CC1=CC=C(OC)C=C1)=O
Synonyms	1-(4-Methoxyphenyl)-3-methylbutan-2-one, 61173-96-4, 2-Butanone, 1-(4-methoxyphenyl)-3-methyl-, SCHEMBL3829820, CTK2E5681, DTXSID60486225, ZINC32008526, AJ-84560, BBV-32358211, 1-(4-Methoxyphenyl)-3-methyl-2-butanone, AX8287218,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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