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Home > Other Building Blocks > 123979-29-3
123979-29-3 | 1,5-Naphthalenediol, 2,6-dimethyl-
CAS No: 123979-29-3 Catalog No: AG000LBH MDL No:MFCD14705129
Product Description
Catalog Number:
AG000LBH
Chemical Name:
1,5-Naphthalenediol, 2,6-dimethyl-
CAS Number:
123979-29-3
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD14705129
IUPAC Name:
2,6-dimethylnaphthalene-1,5-diol
InChI:
InChI=1S/C12H12O2/c1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14/h3-6,13-14H,1-2H3
InChI Key:
GOQCGUCUHMZECD-UHFFFAOYSA-N
SMILES:
Oc1c(C)ccc2c1ccc(c2O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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