Home Other Building Blocks 3,3-dimethyl-1-phenylbutan-2-ol

3,3-dimethyl-1-phenylbutan-2-ol

CAS No.:
50695-92-6
Catalog Number:
AG01A9TD
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
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Product Description
Catalog Number:
AG01A9TD
Chemical Name:
3,3-dimethyl-1-phenylbutan-2-ol
CAS Number:
50695-92-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
MDL Number:
MFCD03939727
IUPAC Name:
3,3-dimethyl-1-phenylbutan-2-ol
InChI:
InChI=1S/C12H18O/c1-12(2,3)11(13)9-10-7-5-4-6-8-10/h4-8,11,13H,9H2,1-3H3
InChI Key:
PDQJOXWPESMTAG-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)Cc1ccccc1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties