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102539-65-1 | 1,3,5-Naphthalenetriol
CAS No: 102539-65-1 Catalog No: AG0007O3 MDL No:
Product Description
Catalog Number:
AG0007O3
Chemical Name:
1,3,5-Naphthalenetriol
CAS Number:
102539-65-1
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
IUPAC Name:
naphthalene-1,3,5-triol
InChI:
InChI=1S/C10H8O3/c11-6-4-8-7(10(13)5-6)2-1-3-9(8)12/h1-5,11-13H
InChI Key:
LQVJTYMOHGBFGR-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)c(O)ccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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