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1187169-13-6 | 3-(4-Heptylbenzoyl)quinoline
CAS No: 1187169-13-6 Catalog No: AG01FF99 MDL No:
Product Description
Catalog Number:
AG01FF99
Chemical Name:
3-(4-Heptylbenzoyl)quinoline
CAS Number:
1187169-13-6
Molecular Formula:
C23H25NO
Molecular Weight:
331.4507
IUPAC Name:
(4-heptylphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C23H25NO/c1-2-3-4-5-6-9-18-12-14-19(15-13-18)23(25)21-16-20-10-7-8-11-22(20)24-17-21/h7-8,10-17H,2-6,9H2,1H3
InChI Key:
MSRUPHHGPYDOED-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)C(=O)c1cnc2c(c1)cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.459g/mol
Monoisotopic Mass:
331.194g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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