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116637-00-4 | 2-Butenoic acid, 4-amino-4-oxo-, ethyl ester, (2E)-
CAS No: 116637-00-4 Catalog No: AG000CWW MDL No:
Product Description
Catalog Number:
AG000CWW
Chemical Name:
2-Butenoic acid, 4-amino-4-oxo-, ethyl ester, (2E)-
CAS Number:
116637-00-4
Molecular Formula:
C6H9NO3
Molecular Weight:
143.1406
IUPAC Name:
ethyl 4-amino-4-oxobut-2-enoate
InChI:
InChI=1S/C6H9NO3/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H2,7,8)
InChI Key:
NQVHELJXYAFNRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/C(=O)N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.142g/mol
Monoisotopic Mass:
143.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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