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21731-17-9

21731-17-9 | Methyl (Z)-3-aminocrotonate

CAS No: 21731-17-9 Catalog No: AG0038VR MDL No:

Product Description

Catalog Number:
AG0038VR
Chemical Name:
Methyl (Z)-3-aminocrotonate
CAS Number:
21731-17-9
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
IUPAC Name:
methyl (Z)-3-aminobut-2-enoate
InChI:
InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-
InChI Key:
XKORCTIIRYKLLG-ARJAWSKDSA-N
SMILES:
COC(=O)/C=C(\N)/C
UNII:
R4X25GNG1J

Properties

Complexity:
118  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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