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102611-86-9 | 5-Benzofuranol, 3-(1-methylethyl)-
CAS No: 102611-86-9 Catalog No: AG0007WD MDL No:
Product Description
Catalog Number:
AG0007WD
Chemical Name:
5-Benzofuranol, 3-(1-methylethyl)-
CAS Number:
102611-86-9
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
3-propan-2-yl-1-benzofuran-5-ol
InChI:
InChI=1S/C11H12O2/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7,12H,1-2H3
InChI Key:
QDVFZAYPPNVADK-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(co2)C(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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