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874181-02-9 | Phosphoric acid, monoethyl mono(3-phenylpropyl) ester
CAS No: 874181-02-9 Catalog No: AG004GE8 MDL No:
Product Description
Catalog Number:
AG004GE8
Chemical Name:
Phosphoric acid, monoethyl mono(3-phenylpropyl) ester
CAS Number:
874181-02-9
Molecular Formula:
C11H16O4P-
Molecular Weight:
243.2161
IUPAC Name:
ethyl 3-phenylpropyl phosphate
InChI:
InChI=1S/C11H17O4P/c1-2-14-16(12,13)15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,12,13)/p-1
InChI Key:
MEVGXDKUAKIUGO-UHFFFAOYSA-M
SMILES:
CCOP(=O)(OCCCc1ccccc1)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.079g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.219g/mol
Monoisotopic Mass:
243.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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