Home Other Building Blocks 2-benzyl-2-ethylpropane-1,3-diol

2-benzyl-2-ethylpropane-1,3-diol

CAS No.:
172477-54-2
Catalog Number:
AG01BB1G
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
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Product Description
Catalog Number:
AG01BB1G
Chemical Name:
2-benzyl-2-ethylpropane-1,3-diol
CAS Number:
172477-54-2
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD21927003
IUPAC Name:
2-benzyl-2-ethylpropane-1,3-diol
InChI:
InChI=1S/C12H18O2/c1-2-12(9-13,10-14)8-11-6-4-3-5-7-11/h3-7,13-14H,2,8-10H2,1H3
InChI Key:
BZMZEERAUFNSOV-UHFFFAOYSA-N
SMILES:
CCC(Cc1ccccc1)(CO)CO
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties