Home Other Building Blocks 2-[4-(2-methylpropyl)phenyl]oxirane

2-[4-(2-methylpropyl)phenyl]oxirane

CAS No.:
99333-91-2
Catalog Number:
AG019V8D
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG019V8D
Chemical Name:
2-[4-(2-methylpropyl)phenyl]oxirane
CAS Number:
99333-91-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD09730260
IUPAC Name:
2-[4-(2-methylpropyl)phenyl]oxirane
InChI:
InChI=1S/C12H16O/c1-9(2)7-10-3-5-11(6-4-10)12-8-13-12/h3-6,9,12H,7-8H2,1-2H3
InChI Key:
NONURYQTOBJCHB-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C1OC1)C
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties