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126424-00-8 | Phosphoric acid, diethyl 3-methyl-1-cyclohexen-1-yl ester
CAS No: 126424-00-8 Catalog No: AG000SSV MDL No:
Product Description
Catalog Number:
AG000SSV
Chemical Name:
Phosphoric acid, diethyl 3-methyl-1-cyclohexen-1-yl ester
CAS Number:
126424-00-8
Molecular Formula:
C11H21O4P
Molecular Weight:
248.2558
IUPAC Name:
1-diethoxyphosphoryl-3-methylcyclohexene
InChI:
InChI=1S/C11H21O3P/c1-4-13-15(12,14-5-2)11-8-6-7-10(3)9-11/h9-10H,4-8H2,1-3H3
InChI Key:
YYHHCKIOESPEEN-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OC1=CC(CCC1)C)OCC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.123g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.26g/mol
Monoisotopic Mass:
232.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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