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136744-85-9 | 2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2E)-
CAS No: 136744-85-9 Catalog No: AG0012AN MDL No:
Product Description
Catalog Number:
AG0012AN
Chemical Name:
2-Butenoic acid, 3-(acetylamino)-, methyl ester, (2E)-
CAS Number:
136744-85-9
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
methyl 3-acetamidobut-2-enoate
InChI:
InChI=1S/C7H11NO3/c1-5(8-6(2)9)4-7(10)11-3/h4H,1-3H3,(H,8,9)
InChI Key:
LZHSHKSQRPIMMV-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(/NC(=O)C)\C
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.169g/mol
Monoisotopic Mass:
157.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| On the enantioselective hydrogenation of isomeric methyl 3-acetamidobutenoates with RhI complexes. | Chemistry (Weinheim an der Bergstrasse, Germany) 20021115 |
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