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820220-49-3 | 3-Butenoic acid, 2-(acetylamino)-, methyl ester, (2S)-
CAS No: 820220-49-3 Catalog No: AG005E1Z MDL No:
Product Description
Catalog Number:
AG005E1Z
Chemical Name:
3-Butenoic acid, 2-(acetylamino)-, methyl ester, (2S)-
CAS Number:
820220-49-3
Molecular Formula:
C7H11NO3
Molecular Weight:
157.1671
IUPAC Name:
methyl (2S)-2-acetamidobut-3-enoate
InChI:
InChI=1S/C7H11NO3/c1-4-6(7(10)11-3)8-5(2)9/h4,6H,1H2,2-3H3,(H,8,9)/t6-/m0/s1
InChI Key:
DLUNQFFKPOIAOQ-LURJTMIESA-N
SMILES:
C=C[C@@H](C(=O)OC)NC(=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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