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79786-99-5 | 1,5-Naphthalenediol, 2-methyl-
CAS No: 79786-99-5 Catalog No: AG00569J MDL No:
Product Description
Catalog Number:
AG00569J
Chemical Name:
1,5-Naphthalenediol, 2-methyl-
CAS Number:
79786-99-5
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
2-methylnaphthalene-1,5-diol
InChI:
InChI=1S/C11H10O2/c1-7-5-6-8-9(11(7)13)3-2-4-10(8)12/h2-6,12-13H,1H3
InChI Key:
DUZDUHSCGBRXJU-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1O)cccc2O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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