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27650-80-2 | Benzenepropanol, 2,4-dimethyl-
CAS No: 27650-80-2 Catalog No: AG002UCS MDL No:
Product Description
Catalog Number:
AG002UCS
Chemical Name:
Benzenepropanol, 2,4-dimethyl-
CAS Number:
27650-80-2
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
3-(2,4-dimethylphenyl)propan-1-ol
InChI:
InChI=1S/C11H16O/c1-9-5-6-11(4-3-7-12)10(2)8-9/h5-6,8,12H,3-4,7H2,1-2H3
InChI Key:
HFIRQLQQPJWFGZ-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(cc1C)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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