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114486-35-0 | 5-Hexenoic acid, 2-amino-, methyl ester
CAS No: 114486-35-0 Catalog No: AG000EJR MDL No:MFCD19204373
Product Description
Catalog Number:
AG000EJR
Chemical Name:
5-Hexenoic acid, 2-amino-, methyl ester
CAS Number:
114486-35-0
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD19204373
IUPAC Name:
methyl 2-aminohex-5-enoate
InChI:
InChI=1S/C7H13NO2/c1-3-4-5-6(8)7(9)10-2/h3,6H,1,4-5,8H2,2H3
InChI Key:
PXKKJZHRWICJMF-UHFFFAOYSA-N
SMILES:
COC(=O)C(CCC=C)N
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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