AG003K48

104-20-1 | 4-(4-Methoxyphenyl)butan-2-one

AG003K48

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CAS Number	104-20-1
Catalog Number	AG003K48(AGN-PC-0JL47U)
Chemical Name	4-(4-Methoxyphenyl)butan-2-one
EC Number	203-184-2
FEMA Number	2672
IUPAC Name	4-(4-methoxyphenyl)butan-2-one
InChI	InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChI Key	PCBSXBYCASFXTM-UHFFFAOYSA-N
MDL Number	MFCD00008791
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	405366
SMILES	CC(CCC1=CC=C(OC)C=C1)=O
UNII	GVG47S4S5V
Synonyms	4-(4-Methoxyphenyl)-2-butanone, 104-20-1, 4-(4-Methoxyphenyl)butan-2-one, Anisylacetone, 4-Methoxybenzylacetone, Raspberry ketone methyl ether, 2-BUTANONE, 4-(4-METHOXYPHENYL)-, Anisylacetone, p-, 4-(p-Methoxyphenyl)-2-butanone, Methyl oxanone, 1-(4-Methoxyphenyl)-3-butanone, p-Methoxyphenylbutanone, 2-Butanone, 4-(p-methoxyphenyl)-, Rasberry ketone methyl ether, ENT 20,279, Methoxybenzylacetone, p-, 1-(p-Methoxyphenyl)-3-butanone-, UNII-GVG47S4S5V, NSC 405366, FEMA No. 2672, p-Methoxybenzylacetone, ANISYL ACETONE, 1-(p-Methoxyphenyl)-3-butanone, 4-(4-methoxyphenyl)-butan-2-one, EINECS 203-184-2, MFCD00008791, BRN 1869592, GVG47S4S5V, 4-(p-Methoxyphenyl)-2-butanone (natural), AI3-20279, PCBSXBYCASFXTM-UHFFFAOYSA-N, 2-Butanone, 4-(p-methoxyphenyl)- (6CI,7CI,8CI), DSSTox_CID_27166, DSSTox_RID_82167, DSSTox_GSID_47166, CAS-104-20-1, AC1L1UCC, AC1Q4CHA, SCHEMBL1334, KSC496A2J, ACMC-2098b8, Jsp000420, CHEMBL3184371, DTXSID5047166, CTK3J6024, FEMA 2672, KS-00000UOD, ZERO/005545, ZINC1235108, 4-(4-methoxy-phenyl)-butan-2-one, Tox21_113654, Tox21_301165, ANW-15042, BBL027730, NSC405366, SBB002546, STL146341, AKOS000120662, LS-2896, MCULE-5951016256, NSC-405366, VF10076, 4-(4-Methoxyphenyl)-2-butanone, 98%, NCGC00248312-01, NCGC00248312-02, NCGC00255063-01, AN-24670, CJ-04791, L571, ST092728, ZB016111, DB-003441, RT-002825, FT-0616645, M0756, ST24042959, SR-01000944748, I01-5625, SR-01000944748-1, W-108822, 4-(4-Methoxyphenyl)-2-butanone, >=98%, FCC, FG, 4-(4-Methoxyphenyl)-2-butanone, analytical standard, Benzylsulfamide, P-ANISYLACETONE, C11H14O2, 4-(4-methoxyphenyl)butan-2-on, 2-butanona, 4-(4-metoxifenil)-, CID61007, C11-H14-O2, 4 - (4 - methoxyphenyl)butan - 2 - one, 4-08-00-00506 (Beilstein Handbook Reference), AA,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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