AG00AOG2

1835-04-7 | 1-(3,4-Dimethoxy-phenyl)-propan-1-one

AG00AOG2

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CAS Number	1835-04-7
Catalog Number	AG00AOG2(AGN-PC-0JKCI2)
Chemical Name	1-(3,4-Dimethoxy-phenyl)-propan-1-one
IUPAC Name	1-(3,4-dimethoxyphenyl)propan-1-one
InChI	InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3
InChI Key	SBMSBQOMJGZBRY-UHFFFAOYSA-N
MDL Number	MFCD00482089
Molecular Formula	C11H14O3
Molecular Weight	194.2271
NSC Number	16954
SMILES	COC=1C=C(C=CC1OC)C(CC)=O
Synonyms	1835-04-7, 1-(3,4-dimethoxyphenyl)propan-1-one, 3,4-Dimethoxypropiophenone, Propioveratrone, 1-(3,4-Dimethoxy-phenyl)-propan-1-one, 1-Propanone, 1-(3,4-dimethoxyphenyl)-, 1-(3,4-Dimethoxyphenyl)-1-propanone, 3,4-Dimethoxyphenyl ethyl ketone, Propiophenone, 3',4'-dimethoxy-, 3',4'-DIMETHOXYPROPIOPHENONE, 3',4'-dimethoxy-1-phenylpropiophenone, AI3-23454, SBMSBQOMJGZBRY-UHFFFAOYSA-N, NSC16954, AC1Q2RMS, ghl.PD_Mitscher_leg0.580, MLS001048910, SCHEMBL515746, AC1L26M9, CHEMBL479685, CTK6C6487, DTXSID60171427, HMS2268J04, ZINC370286, BBL009808, MFCD00482089, NSC-16954, STK043726, AKOS000115379, MCULE-9679861007, NE45401, 1-(3,4-dimethoxyphenyl)-propan-1-one, NCGC00246237-01, AK310681, BAS 00110829, NS-01887, SMR000387103, ZB011160, LS-122898, Propan-1-one, 1-(3,4-dimethoxyphenyl)-, TL8005329, AM20030211, FT-0614354, EN300-01082, (3,4-DIMETHOXY PHENYL)-2-METHYL ETHANONE, 1-(3,4-dimethoxy-phenyl)-propan-1-one, AldrichCPR, Z57952774, Propiophenone,4'-dimethoxy-, 1-Propanone,4-dimethoxyphenyl)-, CID15781, C11-H14-O3,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary 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
Siginal words

Certificate of Analysis

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