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14678-48-9 | Propanoic acid, 3-amino-2-methyl-, methyl ester
CAS No: 14678-48-9 Catalog No: AG001EBC MDL No:MFCD12132810
Product Description
Catalog Number:
AG001EBC
Chemical Name:
Propanoic acid, 3-amino-2-methyl-, methyl ester
CAS Number:
14678-48-9
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
MDL Number:
MFCD12132810
IUPAC Name:
methyl 3-amino-2-methylpropanoate
InChI:
InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3
InChI Key:
BXGDNKQFNQZCLG-UHFFFAOYSA-N
SMILES:
CC(C(=O)OC)CN
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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