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16000-39-8 | 1-Naphthalenecarbonitrile, 2-methoxy-
CAS No: 16000-39-8 Catalog No: AG001RL0 MDL No:MFCD00003867
Product Description
Catalog Number:
AG001RL0
Chemical Name:
1-Naphthalenecarbonitrile, 2-methoxy-
CAS Number:
16000-39-8
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD00003867
IUPAC Name:
2-methoxynaphthalene-1-carbonitrile
InChI:
InChI=1S/C12H9NO/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7H,1H3
InChI Key:
KPIZWRFKCSLGQK-UHFFFAOYSA-N
SMILES:
N#Cc1c(OC)ccc2c1cccc2
EC Number:
240-133-3
NSC Number:
94825
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.21g/mol
Monoisotopic Mass:
183.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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