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797763-38-3 | Benzoic acid, 4-[(diethoxyphosphinyl)methoxy]-
CAS No: 797763-38-3 Catalog No: AG005HDL MDL No:
Product Description
Catalog Number:
AG005HDL
Chemical Name:
Benzoic acid, 4-[(diethoxyphosphinyl)methoxy]-
CAS Number:
797763-38-3
Molecular Formula:
C12H17O6P
Molecular Weight:
288.2335
IUPAC Name:
4-(diethoxyphosphorylmethoxy)benzoic acid
InChI:
InChI=1S/C12H17O6P/c1-3-17-19(15,18-4-2)9-16-11-7-5-10(6-8-11)12(13)14/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChI Key:
XDOGBYMKVXWHCF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(COc1ccc(cc1)C(=O)O)OCC
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.076g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.236g/mol
Monoisotopic Mass:
288.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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