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137301-41-8 | Phosphoric acid, monomethyl monooctyl ester
CAS No: 137301-41-8 Catalog No: AG00132D MDL No:
Product Description
Catalog Number:
AG00132D
Chemical Name:
Phosphoric acid, monomethyl monooctyl ester
CAS Number:
137301-41-8
Molecular Formula:
C9H20O4P-
Molecular Weight:
223.2265
IUPAC Name:
methyl octyl phosphate
InChI:
InChI=1S/C9H21O4P/c1-3-4-5-6-7-8-9-13-14(10,11)12-2/h3-9H2,1-2H3,(H,10,11)/p-1
InChI Key:
OKEUUXNKMFMNAS-UHFFFAOYSA-M
SMILES:
CCCCCCCCOP(=O)(OC)[O-]
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.11g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.229g/mol
Monoisotopic Mass:
223.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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