AG003LN1

5437-98-9 | N-(4-Methoxyphenyl)-3-oxobutanamide

AG003LN1

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CAS Number	5437-98-9
Catalog Number	AG003LN1(AGN-PC-0JKFYX)
Chemical Name	N-(4-Methoxyphenyl)-3-oxobutanamide
EC Number	226-615-6
IUPAC Name	N-(4-methoxyphenyl)-3-oxobutanamide
InChI	InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)
InChI Key	SWAJJKROCOJICG-UHFFFAOYSA-N
MDL Number	MFCD00008783
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	C1=C(NC(CC(C)=O)=O)C=CC(=C1)OC
UNII	YCG3918U16
Synonyms	5437-98-9, N-(4-Methoxyphenyl)-3-oxobutanamide, p-ACETOACETANISIDIDE, 4'-Methoxyacetoacetanilide, Acetoacet-p-anisidide, N-(4-methoxyphenyl)-3-oxo-butyramide, p-Acetoacetanisidine, para-Acetoacetanisidide, Butanamide, N-(4-methoxyphenyl)-3-oxo-, p-Acetoacetaniside, N-(4-Methoxyphenyl)acetoacetamide, NSC 16508, Acetoacetanilide, 4'-methoxy-, Butanamide, N-(4-methoxyphenyl)-oxo-, NSC 116392, NSC 216130, UNII-YCG3918U16, EINECS 226-615-6, BRN 2213866, AI3-52429, YCG3918U16, ACMC-1ALYM, p-Methoxyacetoacetanilide, AC1L2IMM, Maybridge1_001183, N-Acetoacetyl-p-anisidine, EC 226-615-6, 4\'-Methoxyacetoacetanilide, DSSTox_CID_24689, DSSTox_RID_80398, DSSTox_GSID_44689, KSC497O5D, N-Acetoacetyl-4-methoxyaniline, SCHEMBL1117828, CHEMBL3185475, DTXSID7044689, CTK3J7751, HMS544N17, ZINC56480, SWAJJKROCOJICG-UHFFFAOYSA-N, N-(4-Methoxyphenyl)acetylacetamide, KS-00000GC0, NSC16508, Tox21_301481, ANW-42662, BBL004872, CCG-52405, HTS000797, MFCD00008783, NSC-16508, NSC116392, NSC216130, SBB076285, STK397314, AKOS000120070, DS-1122, MCULE-8283665548, NSC-116392, NSC-216130, RTR-019227, N-(4-Methoxy-phenyl)-3-oxo-butyramide, N-(4-Methoxyphenyl)-3-oxobutanamide #, NCGC00256049-01, AJ-09279, AK-45807, BC221904, BR-45807, Butanamide, 3-oxo-N-(4-methoxyphenyl)-, CJ-00357, LS-13043, O318, ZB001670, CAS-5437-98-9, DB-013367, ST2413553, TR-019227, FT-0621789, ST45138013, M-7558, N-(4-methoxyphenyl)-3-oxidanylidene-butanamide, 10D-068, A830140, SR-01000641644-1, W-105635, 4/'-Methoxyacetoacetanilide, C11H13NO3, CID21576, C11-H13-N-O3, A1307, 4-13-00-01229 (Beilstein Handbook Reference),

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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