AG00IB9M

6375-27-5 | Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-

AG00IB9M

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CAS Number	6375-27-5
Catalog Number	AG00IB9M(AGN-PC-0JLSUP)
Chemical Name	Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-
EC Number	228-936-7
IUPAC Name	N-(2,5-dimethoxyphenyl)-3-oxobutanamide
InChI	InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-7-9(16-2)4-5-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChI Key	PJFIAKRRJLGWMD-UHFFFAOYSA-N
MDL Number	MFCD00043930
Molecular Formula	C12H15NO4
Molecular Weight	237.2518
NSC Number	50634
SMILES	COC1=CC(NC(CC(C)=O)=O)=C(OC)C=C1
UNII	T6ELE0Q76F
Synonyms	N-(2,5-dimethoxyphenyl)-3-oxobutanamide, 6375-27-5, 2,5-Dimethoxyacetoacetanilide, 2',5'-Dimethoxyacetoacetanilide, Acetoacet-2,5-dimethoxyanilide, UNII-T6ELE0Q76F, Acetoacetyl-2,5-dimethoxyanilide, Butanamide, N-(2,5-dimethoxyphenyl)-3-oxo-, T6ELE0Q76F, EINECS 228-936-7, NSC 50634, AC1Q5CEX, DSSTox_CID_24709, DSSTox_RID_80411, DSSTox_GSID_44709, 2,5-Dimethoxy acetoacetanilide, AC1L302F, SCHEMBL5406017, CHEMBL3182874, DTXSID8044709, CTK5B9812, ZINC282551, NSC50634, Tox21_302213, BBL004871, HTS028078, MFCD00043930, NSC-50634, SBB077973, STL087577, AKOS000115206, MCULE-9807594270, VZ22781, NCGC00256217-01, AJ-18832, BAS 00441193, O329, ZB010149, CAS-6375-27-5, N-(2,5-dimethoxyphenyl)-3-oxo-butyramide, Acetoacetanilide, 2',5'-dimethoxy- (8CI), Butanamide,N-(2,5-dimethoxyphenyl)-3-oxo-, FT-0621782, H2867, N-(2,5-Dimethoxy-phenyl)-3-oxo-butyramide, ST24031288, AB00078259-01, 375D275, 8R-0028, W-104880, Acetoacetanilide,5'-dimethoxy-, C12H15NO4, 2', 5'-Dimethoxyacetoacetanilide, CID80777, Acetoacetanilide, 2',5'-dimethoxy-, AR-1J7467, C12-H15-N-O4, Butanamide,5-dimethoxyphenyl)-3-oxo-, 645-66-9,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.255g/mol
Monoisotopic Mass	237.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number