Home Other Building Blocks 1-(4-TERT-BUTYLPHENYL)ETHANE-1,2-DIOL

1-(4-TERT-BUTYLPHENYL)ETHANE-1,2-DIOL

CAS No.:
1044695-85-3
Catalog Number:
AG01BLXV
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
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Product Description
Catalog Number:
AG01BLXV
Chemical Name:
1-(4-TERT-BUTYLPHENYL)ETHANE-1,2-DIOL
CAS Number:
1044695-85-3
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
MDL Number:
MFCD30535912
IUPAC Name:
1-(4-tert-butylphenyl)ethane-1,2-diol
InChI:
InChI=1S/C12H18O2/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11,13-14H,8H2,1-3H3
InChI Key:
NNPXCFIPWDBGNX-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)C(C)(C)C)O
Properties
Complexity:
164  
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:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties