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87358-86-9 | 2-Butenedioic acid, 2-(acetylamino)-, dimethyl ester, (Z)-
CAS No: 87358-86-9 Catalog No: AG004KPB MDL No:
Product Description
Catalog Number:
AG004KPB
Chemical Name:
2-Butenedioic acid, 2-(acetylamino)-, dimethyl ester, (Z)-
CAS Number:
87358-86-9
Molecular Formula:
C8H11NO5
Molecular Weight:
201.1766
IUPAC Name:
dimethyl 2-acetamidobut-2-enedioate
InChI:
InChI=1S/C8H11NO5/c1-5(10)9-6(8(12)14-3)4-7(11)13-2/h4H,1-3H3,(H,9,10)
InChI Key:
DFZMFCNXPONLRX-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(/C(=O)OC)\NC(=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.178g/mol
Monoisotopic Mass:
201.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.1
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