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101946-10-5 | Benzoic acid, 2-[(ethoxyhydroxyphosphinyl)oxy]-, 1-methylethyl ester
CAS No: 101946-10-5 Catalog No: AG00061C MDL No:
Product Description
Catalog Number:
AG00061C
Chemical Name:
Benzoic acid, 2-[(ethoxyhydroxyphosphinyl)oxy]-, 1-methylethyl ester
CAS Number:
101946-10-5
Molecular Formula:
C12H17O6P
Molecular Weight:
288.2335
IUPAC Name:
propan-2-yl 2-[ethoxy(hydroxy)phosphoryl]oxybenzoate
InChI:
InChI=1S/C12H17O6P/c1-4-16-19(14,15)18-11-8-6-5-7-10(11)12(13)17-9(2)3/h5-9H,4H2,1-3H3,(H,14,15)
InChI Key:
FWJVGCSBALPMMN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)O
Properties
Complexity:
343
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:
7
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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