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823236-40-4 | 2-Naphthalenecarbonitrile, 6-[2-[3-(1-methylethoxy)phenyl]cyclopropyl]-
CAS No: 823236-40-4 Catalog No: AG005DXP MDL No:
Product Description
Catalog Number:
AG005DXP
Chemical Name:
2-Naphthalenecarbonitrile, 6-[2-[3-(1-methylethoxy)phenyl]cyclopropyl]-
CAS Number:
823236-40-4
Molecular Formula:
C23H21NO
Molecular Weight:
327.4189
IUPAC Name:
6-[2-(3-propan-2-yloxyphenyl)cyclopropyl]naphthalene-2-carbonitrile
InChI:
InChI=1S/C23H21NO/c1-15(2)25-21-5-3-4-19(12-21)22-13-23(22)20-9-8-17-10-16(14-24)6-7-18(17)11-20/h3-12,15,22-23H,13H2,1-2H3
InChI Key:
OMUVZTCHVYMWNB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccc(c2)C1CC1c1cccc(c1)OC(C)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.162g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.427g/mol
Monoisotopic Mass:
327.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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