Home Other Building Blocks 1-(3,5-DIMETHYLPHENYL)ETHANE-1,2-DIOL

1-(3,5-DIMETHYLPHENYL)ETHANE-1,2-DIOL

CAS No.:
880498-12-4
Catalog Number:
AG01BLY2
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
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Product Description
Catalog Number:
AG01BLY2
Chemical Name:
1-(3,5-DIMETHYLPHENYL)ETHANE-1,2-DIOL
CAS Number:
880498-12-4
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD24287489
IUPAC Name:
1-(3,5-dimethylphenyl)ethane-1,2-diol
InChI:
InChI=1S/C10H14O2/c1-7-3-8(2)5-9(4-7)10(12)6-11/h3-5,10-12H,6H2,1-2H3
InChI Key:
ADLFAFRZFUHITB-UHFFFAOYSA-N
SMILES:
OCC(c1cc(C)cc(c1)C)O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties