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1378466-25-1 | Propanedioic acid, 2-(2-amino-3-buten-1-yl)-
CAS No: 1378466-25-1 Catalog No: AG0013Y7 MDL No:
Product Description
Catalog Number:
AG0013Y7
Chemical Name:
Propanedioic acid, 2-(2-amino-3-buten-1-yl)-
CAS Number:
1378466-25-1
Molecular Formula:
C7H11NO4
Molecular Weight:
173.1665
IUPAC Name:
2-(2-aminobut-3-enyl)propanedioic acid
InChI:
InChI=1S/C7H11NO4/c1-2-4(8)3-5(6(9)10)7(11)12/h2,4-5H,1,3,8H2,(H,9,10)(H,11,12)
InChI Key:
AIFHTSLGFACKRW-UHFFFAOYSA-N
SMILES:
C=CC(CC(C(=O)O)C(=O)O)N
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.168g/mol
Monoisotopic Mass:
173.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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