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89197-79-5 | Phosphoric acid, butyl 2-hydroxybutyl methyl ester
CAS No: 89197-79-5 Catalog No: AG003VWA MDL No:
Product Description
Catalog Number:
AG003VWA
Chemical Name:
Phosphoric acid, butyl 2-hydroxybutyl methyl ester
CAS Number:
89197-79-5
Molecular Formula:
C9H21O5P
Molecular Weight:
240.2338
IUPAC Name:
butyl 2-hydroxybutyl methyl phosphate
InChI:
InChI=1S/C9H21O5P/c1-4-6-7-13-15(11,12-3)14-8-9(10)5-2/h9-10H,4-8H2,1-3H3
InChI Key:
JLWUJKPSWQNEJF-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(OCC(CC)O)OC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.113g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.236g/mol
Monoisotopic Mass:
240.113g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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