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124886-24-4 | Acetic acid, 2,2-dihydroxy-2-phosphono-
CAS No: 124886-24-4 Catalog No: AG000MUD MDL No:
Product Description
Catalog Number:
AG000MUD
Chemical Name:
Acetic acid, 2,2-dihydroxy-2-phosphono-
CAS Number:
124886-24-4
Molecular Formula:
C2H5O7P
Molecular Weight:
172.0307
IUPAC Name:
2-dihydroperoxyphosphorylacetic acid
InChI:
InChI=1S/C2H5O7P/c3-2(4)1-10(7,8-5)9-6/h5-6H,1H2,(H,3,4)
InChI Key:
XSUIDYWQGMSYRJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(P(=O)(O)O)(O)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.977g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.029g/mol
Monoisotopic Mass:
171.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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