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124703-77-1 | 2-Pentenoic acid, 3-amino-4-methyl-, methyl ester
CAS No: 124703-77-1 Catalog No: AG000MNR MDL No:MFCD12974646
Product Description
Catalog Number:
AG000MNR
Chemical Name:
2-Pentenoic acid, 3-amino-4-methyl-, methyl ester
CAS Number:
124703-77-1
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD12974646
IUPAC Name:
methyl (Z)-3-amino-4-methylpent-2-enoate
InChI:
InChI=1S/C7H13NO2/c1-5(2)6(8)4-7(9)10-3/h4-5H,8H2,1-3H3/b6-4-
InChI Key:
QBZUNIPJVKAQQC-XQRVVYSFSA-N
SMILES:
COC(=O)C=C(C(C)C)N
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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