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1687-64-5 | Phenol, 2-ethyl-6-methyl-
CAS No: 1687-64-5 Catalog No: AG001Y88 MDL No:MFCD00962292
Product Description
Catalog Number:
AG001Y88
Chemical Name:
Phenol, 2-ethyl-6-methyl-
CAS Number:
1687-64-5
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00962292
IUPAC Name:
2-ethyl-6-methylphenol
InChI:
InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
InChI Key:
CIRRFAQIWQFQSS-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1O)C
UNII:
359WUC62RI
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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