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130662-54-3

130662-54-3 | 2-Propenoic acid, 2-methyl-3-phosphono-

CAS No: 130662-54-3 Catalog No: AG000US3 MDL No:

Product Description

Catalog Number:
AG000US3
Chemical Name:
2-Propenoic acid, 2-methyl-3-phosphono-
CAS Number:
130662-54-3
Molecular Formula:
C4H7O5P
Molecular Weight:
166.0691
IUPAC Name:
2-methyl-3-phosphonoprop-2-enoic acid
InChI:
InChI=1S/C4H7O5P/c1-3(4(5)6)2-10(7,8)9/h2H,1H3,(H,5,6)(H2,7,8,9)
InChI Key:
XGDAHZFVQMTYCT-UHFFFAOYSA-N
SMILES:
OC(=O)C(=CP(=O)(O)O)C

Properties

Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.003g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
166.069g/mol
Monoisotopic Mass:
166.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
-1.6  

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