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88585-00-6 | Phosphonic acid, (3-hydroxypropyl)-, dibutyl ester
CAS No: 88585-00-6 Catalog No: AG004B3X MDL No:
Product Description
Catalog Number:
AG004B3X
Chemical Name:
Phosphonic acid, (3-hydroxypropyl)-, dibutyl ester
CAS Number:
88585-00-6
Molecular Formula:
C11H25O4P
Molecular Weight:
252.2876
IUPAC Name:
3-dibutoxyphosphorylpropan-1-ol
InChI:
InChI=1S/C11H25O4P/c1-3-5-9-14-16(13,11-7-8-12)15-10-6-4-2/h12H,3-11H2,1-2H3
InChI Key:
WWBKIKSCTDBVTG-UHFFFAOYSA-N
SMILES:
OCCCP(=O)(OCCCC)OCCCC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.149g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.291g/mol
Monoisotopic Mass:
252.149g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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