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13829-65-7 | 1H-Phosphole, 2,5-dihydro-3-methyl-1-(4-methylphenyl)-, 1-oxide
CAS No: 13829-65-7 Catalog No: AG0018GI MDL No:
Product Description
Catalog Number:
AG0018GI
Chemical Name:
1H-Phosphole, 2,5-dihydro-3-methyl-1-(4-methylphenyl)-, 1-oxide
CAS Number:
13829-65-7
Molecular Formula:
C12H15OP
Molecular Weight:
206.2207
IUPAC Name:
3-methyl-1-(4-methylphenyl)-2,5-dihydro-1λ5-phosphole 1-oxide
InChI:
InChI=1S/C12H15OP/c1-10-3-5-12(6-4-10)14(13)8-7-11(2)9-14/h3-7H,8-9H2,1-2H3
InChI Key:
JPDFJIRFZNFNMA-UHFFFAOYSA-N
SMILES:
CC1=CCP(=O)(C1)c1ccc(cc1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.086g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.225g/mol
Monoisotopic Mass:
206.086g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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