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35989-16-3 | 2-(Methylamino);pentanedioic acid
CAS No: 35989-16-3 Catalog No: AG003T7K MDL No:
Product Description
Catalog Number:
AG003T7K
Chemical Name:
2-(Methylamino);pentanedioic acid
CAS Number:
35989-16-3
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
2-(methylamino)pentanedioic acid
InChI:
InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
InChI Key:
XLBVNMSMFQMKEY-UHFFFAOYSA-N
SMILES:
CNC(C(=O)O)CCC(=O)O
NSC Number:
109187
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
161.157g/mol
Monoisotopic Mass:
161.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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