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114334-83-7 | Oxirane, 2-[1,1-dimethyl-2-(3-methylphenyl)ethyl]-2-methyl-
CAS No: 114334-83-7 Catalog No: AG000B4C MDL No:
Product Description
Catalog Number:
AG000B4C
Chemical Name:
Oxirane, 2-[1,1-dimethyl-2-(3-methylphenyl)ethyl]-2-methyl-
CAS Number:
114334-83-7
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
2-methyl-2-[2-methyl-1-(3-methylphenyl)propan-2-yl]oxirane
InChI:
InChI=1S/C14H20O/c1-11-6-5-7-12(8-11)9-13(2,3)14(4)10-15-14/h5-8H,9-10H2,1-4H3
InChI Key:
QYXHEYSGOZVJII-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CC(C1(C)CO1)(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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