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86847-45-2

86847-45-2 | Phenol, 3,6-dimethyl-2-(2-methyl-1-propenyl)-

CAS No: 86847-45-2 Catalog No: AG004QWH MDL No:

Product Description

Catalog Number:
AG004QWH
Chemical Name:
Phenol, 3,6-dimethyl-2-(2-methyl-1-propenyl)-
CAS Number:
86847-45-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
3,6-dimethyl-2-(2-methylprop-1-enyl)phenol
InChI:
InChI=1S/C12H16O/c1-8(2)7-11-9(3)5-6-10(4)12(11)13/h5-7,13H,1-4H3
InChI Key:
GKLANDPTGTZNGL-UHFFFAOYSA-N
SMILES:
CC(=Cc1c(C)ccc(c1O)C)C

Properties

Complexity:
191  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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