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16144-91-5 | 1,4-Methanonaphthalene-5,8-diol, 1,2,3,4-tetrahydro-
CAS No: 16144-91-5 Catalog No: AG001SHH MDL No:MFCD00077441
Product Description
Catalog Number:
AG001SHH
Chemical Name:
1,4-Methanonaphthalene-5,8-diol, 1,2,3,4-tetrahydro-
CAS Number:
16144-91-5
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00077441
IUPAC Name:
tricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
InChI:
InChI=1S/C11H12O2/c12-8-3-4-9(13)11-7-2-1-6(5-7)10(8)11/h3-4,6-7,12-13H,1-2,5H2
InChI Key:
JYHNNCBQCSLFQM-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1C1CCC2C1)O
EC Number:
240-300-0
Properties
Complexity:
194
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:
2
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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