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114703-18-3 | Propanedioic acid, 2-(3-aminopropyl)-
CAS No: 114703-18-3 Catalog No: AG000F31 MDL No:
Product Description
Catalog Number:
AG000F31
Chemical Name:
Propanedioic acid, 2-(3-aminopropyl)-
CAS Number:
114703-18-3
Molecular Formula:
C6H11NO4
Molecular Weight:
161.1558
IUPAC Name:
2-(3-aminopropyl)propanedioic acid
InChI:
InChI=1S/C6H11NO4/c7-3-1-2-4(5(8)9)6(10)11/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChI Key:
RENPTINIWHSECZ-UHFFFAOYSA-N
SMILES:
NCCCC(C(=O)O)C(=O)O
Properties
Complexity:
143
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:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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