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1187167-95-8 | 4-(4-Heptyloxybenzoyl)isoquinoline
CAS No: 1187167-95-8 Catalog No: AG01FE2S MDL No:
Product Description
Catalog Number:
AG01FE2S
Chemical Name:
4-(4-Heptyloxybenzoyl)isoquinoline
CAS Number:
1187167-95-8
Molecular Formula:
C23H25NO2
Molecular Weight:
347.4501
IUPAC Name:
(4-heptoxyphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C23H25NO2/c1-2-3-4-5-8-15-26-20-13-11-18(12-14-20)23(25)22-17-24-16-19-9-6-7-10-21(19)22/h6-7,9-14,16-17H,2-5,8,15H2,1H3
InChI Key:
RTCACIMXGXLHTR-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.189g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.458g/mol
Monoisotopic Mass:
347.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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