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1315479-99-2 | 2-Naphthalenecarbonitrile, 5,6,7,8-tetrahydro-5-hydroxy-
CAS No: 1315479-99-2 Catalog No: AG000ZEH MDL No:
Product Description
Catalog Number:
AG000ZEH
Chemical Name:
2-Naphthalenecarbonitrile, 5,6,7,8-tetrahydro-5-hydroxy-
CAS Number:
1315479-99-2
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H11NO/c12-7-8-4-5-10-9(6-8)2-1-3-11(10)13/h4-6,11,13H,1-3H2
InChI Key:
UAUIRUBQCCNAHN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCCC2O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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