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123151-45-1 | Phenol, 3-methoxy-2-(1-methylethyl)-
CAS No: 123151-45-1 Catalog No: AG000K37 MDL No:
Product Description
Catalog Number:
AG000K37
Chemical Name:
Phenol, 3-methoxy-2-(1-methylethyl)-
CAS Number:
123151-45-1
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
3-methoxy-2-propan-2-ylphenol
InChI:
InChI=1S/C10H14O2/c1-7(2)10-8(11)5-4-6-9(10)12-3/h4-7,11H,1-3H3
InChI Key:
LNGZPVUURAGLPI-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(C)C)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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