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114751-28-9 | Butanoic acid, 3-hydroxy-3-phosphono-
CAS No: 114751-28-9 Catalog No: AG000F5B MDL No:MFCD20645651
Product Description
Catalog Number:
AG000F5B
Chemical Name:
Butanoic acid, 3-hydroxy-3-phosphono-
CAS Number:
114751-28-9
Molecular Formula:
C4H9O6P
Molecular Weight:
184.0844
MDL Number:
MFCD20645651
IUPAC Name:
3-hydroxy-3-phosphonobutanoic acid
InChI:
InChI=1S/C4H9O6P/c1-4(7,2-3(5)6)11(8,9)10/h7H,2H2,1H3,(H,5,6)(H2,8,9,10)
InChI Key:
HCYKHCKJXLGVDY-UHFFFAOYSA-N
SMILES:
OC(=O)CC(P(=O)(O)O)(O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.084g/mol
Monoisotopic Mass:
184.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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