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132472-31-2 | 3-Heptenoic acid, 2-amino-4-(phosphonomethyl)-, (3E)-
CAS No: 132472-31-2 Catalog No: AG0010Q1 MDL No:
Product Description
Catalog Number:
AG0010Q1
Chemical Name:
3-Heptenoic acid, 2-amino-4-(phosphonomethyl)-, (3E)-
CAS Number:
132472-31-2
Molecular Formula:
C8H16NO5P
Molecular Weight:
237.1901
IUPAC Name:
2-amino-4-(phosphonomethyl)hept-3-enoic acid
InChI:
InChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)
InChI Key:
ZEFQYTSQDVUMEU-UHFFFAOYSA-N
SMILES:
CCC/C(=C\C(C(=O)O)N)/CP(=O)(O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
237.192g/mol
Monoisotopic Mass:
237.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-3.1
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