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60815-18-1 | Diethyl 3-methoxybenzylphosphonate
CAS No: 60815-18-1 Catalog No: AG003AYA MDL No:MFCD08276363
Product Description
Catalog Number:
AG003AYA
Chemical Name:
Diethyl 3-methoxybenzylphosphonate
CAS Number:
60815-18-1
Molecular Formula:
C12H19O4P
Molecular Weight:
258.2506
MDL Number:
MFCD08276363
IUPAC Name:
1-(diethoxyphosphorylmethyl)-3-methoxybenzene
InChI:
InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-7-6-8-12(9-11)14-3/h6-9H,4-5,10H2,1-3H3
InChI Key:
IGGMUQNGGBRXFB-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cccc(c1)OC)OCC
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.254g/mol
Monoisotopic Mass:
258.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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