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70794-95-5 | Butanoic acid, 4-hydroxy-4,4-diphosphono-
CAS No: 70794-95-5 Catalog No: AG005FUR MDL No:
Product Description
Catalog Number:
AG005FUR
Chemical Name:
Butanoic acid, 4-hydroxy-4,4-diphosphono-
CAS Number:
70794-95-5
Molecular Formula:
C4H10O9P2
Molecular Weight:
264.0643
IUPAC Name:
4-hydroxy-4,4-diphosphonobutanoic acid
InChI:
InChI=1S/C4H10O9P2/c5-3(6)1-2-4(7,14(8,9)10)15(11,12)13/h7H,1-2H2,(H,5,6)(H2,8,9,10)(H2,11,12,13)
InChI Key:
HMRDIZPIGAPVHB-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(P(=O)(O)O)(P(=O)(O)O)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
264.063g/mol
Monoisotopic Mass:
263.98g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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