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3088-42-4 | Glycine, N-(2-cyanoethyl)-
CAS No: 3088-42-4 Catalog No: AG0031K4 MDL No:MFCD00066903
Product Description
Catalog Number:
AG0031K4
Chemical Name:
Glycine, N-(2-cyanoethyl)-
CAS Number:
3088-42-4
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
MDL Number:
MFCD00066903
IUPAC Name:
2-(2-cyanoethylamino)acetic acid
InChI:
InChI=1S/C5H8N2O2/c6-2-1-3-7-4-5(8)9/h7H,1,3-4H2,(H,8,9)
InChI Key:
KZUBZCHAWPDYQX-UHFFFAOYSA-N
SMILES:
N#CCCNCC(=O)O
EC Number:
221-418-1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.131g/mol
Monoisotopic Mass:
128.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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