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139220-26-1 | 2-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-hydroxy-, (1R,2S)-rel-
CAS No: 139220-26-1 Catalog No: AG001AHS MDL No:
Product Description
Catalog Number:
AG001AHS
Chemical Name:
2-Naphthalenecarbonitrile, 1,2,3,4-tetrahydro-1-hydroxy-, (1R,2S)-rel-
CAS Number:
139220-26-1
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbonitrile
InChI:
InChI=1S/C11H11NO/c12-7-9-6-5-8-3-1-2-4-10(8)11(9)13/h1-4,9,11,13H,5-6H2
InChI Key:
VRJXVXZLCPJJCU-UHFFFAOYSA-N
SMILES:
N#C[C@@H]1CCc2c([C@@H]1O)cccc2
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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