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14576-53-5 | Propanoic acid, 3-(methoxyphenylphosphinyl)-, methyl ester
CAS No: 14576-53-5 Catalog No: AG001DE1 MDL No:
Product Description
Catalog Number:
AG001DE1
Chemical Name:
Propanoic acid, 3-(methoxyphenylphosphinyl)-, methyl ester
CAS Number:
14576-53-5
Molecular Formula:
C11H15O4P
Molecular Weight:
242.2082
IUPAC Name:
methyl 3-[methoxy(phenyl)phosphoryl]propanoate
InChI:
InChI=1S/C11H15O4P/c1-14-11(12)8-9-16(13,15-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
SKTDRCXOWJEYFA-UHFFFAOYSA-N
SMILES:
COP(=O)(c1ccccc1)CCC(=O)OC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.211g/mol
Monoisotopic Mass:
242.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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