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102359-72-8 | Benzenemethanol, 2-hydroxy-5-(1-methylethyl)-
CAS No: 102359-72-8 Catalog No: AG00078Y MDL No:
Product Description
Catalog Number:
AG00078Y
Chemical Name:
Benzenemethanol, 2-hydroxy-5-(1-methylethyl)-
CAS Number:
102359-72-8
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
2-(hydroxymethyl)-4-propan-2-ylphenol
InChI:
InChI=1S/C10H14O2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7,11-12H,6H2,1-2H3
InChI Key:
NQYJZVIUIWEHNX-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1O)C(C)C
Properties
Complexity:
134
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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