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24549-12-0 | β-Alanine, N-methyl-, methyl ester
CAS No: 24549-12-0 Catalog No: AG002OI6 MDL No:MFCD11505527
Product Description
Catalog Number:
AG002OI6
Chemical Name:
β-Alanine, N-methyl-, methyl ester
CAS Number:
24549-12-0
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
MDL Number:
MFCD11505527
IUPAC Name:
methyl 3-(methylamino)propanoate
InChI:
InChI=1S/C5H11NO2/c1-6-4-3-5(7)8-2/h6H,3-4H2,1-2H3
InChI Key:
NGNUXOCKVMKGQL-UHFFFAOYSA-N
SMILES:
CNCCC(=O)OC
Properties
Complexity:
72.8
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:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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