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19991-04-9 | Benzeneethanol, 2,3,5,6-tetramethyl-
CAS No: 19991-04-9 Catalog No: AG002CFW MDL No:
Product Description
Catalog Number:
AG002CFW
Chemical Name:
Benzeneethanol, 2,3,5,6-tetramethyl-
CAS Number:
19991-04-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
2-(2,3,5,6-tetramethylphenyl)ethanol
InChI:
InChI=1S/C12H18O/c1-8-7-9(2)11(4)12(5-6-13)10(8)3/h7,13H,5-6H2,1-4H3
InChI Key:
YAAYQFCSKAKHNF-UHFFFAOYSA-N
SMILES:
OCCc1c(C)c(C)cc(c1C)C
Properties
Complexity:
141
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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