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113560-20-6 | 2-Propenoic acid, 2-amino-3-methoxy-, methyl ester, (Z)- (9CI)
CAS No: 113560-20-6 Catalog No: AG000906 MDL No:
Product Description
Catalog Number:
AG000906
Chemical Name:
2-Propenoic acid, 2-amino-3-methoxy-, methyl ester, (Z)- (9CI)
CAS Number:
113560-20-6
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
IUPAC Name:
methyl 2-amino-3-methoxyprop-2-enoate
InChI:
InChI=1S/C5H9NO3/c1-8-3-4(6)5(7)9-2/h3H,6H2,1-2H3
InChI Key:
IVMHWOSXRHVBLD-UHFFFAOYSA-N
SMILES:
CO/C=C(/C(=O)OC)\N
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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