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158365-54-9 | 1-Naphthalenecarbonitrile, 7-methoxy-
CAS No: 158365-54-9 Catalog No: AG001Q5L MDL No:MFCD09037978
Product Description
Catalog Number:
AG001Q5L
Chemical Name:
1-Naphthalenecarbonitrile, 7-methoxy-
CAS Number:
158365-54-9
Molecular Formula:
C12H9NO
Molecular Weight:
183.2060
MDL Number:
MFCD09037978
IUPAC Name:
7-methoxynaphthalene-1-carbonitrile
InChI:
InChI=1S/C12H9NO/c1-14-11-6-5-9-3-2-4-10(8-13)12(9)7-11/h2-7H,1H3
InChI Key:
CTAKVWPTULZNMM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C#N)ccc2
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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