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20677-08-1 | Phosphonic acid, P-(4-methylphenyl)-, bis(1-methylethyl) ester
CAS No: 20677-08-1 Catalog No: AG002IP3 MDL No:
Product Description
Catalog Number:
AG002IP3
Chemical Name:
Phosphonic acid, P-(4-methylphenyl)-, bis(1-methylethyl) ester
CAS Number:
20677-08-1
Molecular Formula:
C13H21O3P
Molecular Weight:
256.2778
IUPAC Name:
1-di(propan-2-yloxy)phosphoryl-4-methylbenzene
InChI:
InChI=1S/C13H21O3P/c1-10(2)15-17(14,16-11(3)4)13-8-6-12(5)7-9-13/h6-11H,1-5H3
InChI Key:
FUSXUJHSJPQJKE-UHFFFAOYSA-N
SMILES:
CC(OP(=O)(c1ccc(cc1)C)OC(C)C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.282g/mol
Monoisotopic Mass:
256.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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