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127451-21-2 | BENZENEMETHANOL, 2-METHYL-3-(1-METHYLETHYL)-
CAS No: 127451-21-2 Catalog No: AG000X3B MDL No:
Product Description
Catalog Number:
AG000X3B
Chemical Name:
BENZENEMETHANOL, 2-METHYL-3-(1-METHYLETHYL)-
CAS Number:
127451-21-2
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
(2-methyl-3-propan-2-ylphenyl)methanol
InChI:
InChI=1S/C11H16O/c1-8(2)11-6-4-5-10(7-12)9(11)3/h4-6,8,12H,7H2,1-3H3
InChI Key:
OCTCVAWMEVIFDW-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C)C(C)C
Properties
Complexity:
131
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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