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119012-04-3 | Phosphonic acid, P-(1-hydroxy-3-methylbutyl)-
CAS No: 119012-04-3 Catalog No: AG000P22 MDL No:
Product Description
Catalog Number:
AG000P22
Chemical Name:
Phosphonic acid, P-(1-hydroxy-3-methylbutyl)-
CAS Number:
119012-04-3
Molecular Formula:
C5H13O4P
Molecular Weight:
168.1281
IUPAC Name:
(1-hydroxy-3-methylbutyl)phosphonic acid
InChI:
InChI=1S/C5H13O4P/c1-4(2)3-5(6)10(7,8)9/h4-6H,3H2,1-2H3,(H2,7,8,9)
InChI Key:
AIJCQEYSBDDMHQ-UHFFFAOYSA-N
SMILES:
OC(P(=O)(O)O)CC(C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.055g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.129g/mol
Monoisotopic Mass:
168.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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