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36970-31-7 | 3-(hept-1-en-1-yl)-2-methylquinolin-4(1h)-one
CAS No: 36970-31-7 Catalog No: AG007CJL MDL No:
Product Description
Catalog Number:
AG007CJL
Chemical Name:
3-(hept-1-en-1-yl)-2-methylquinolin-4(1h)-one
CAS Number:
36970-31-7
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
IUPAC Name:
3-hept-1-enyl-2-methyl-1H-quinolin-4-one
InChI:
InChI=1S/C17H21NO/c1-3-4-5-6-7-10-14-13(2)18-16-12-9-8-11-15(16)17(14)19/h7-12H,3-6H2,1-2H3,(H,18,19)
InChI Key:
IJPSGNWBNQZSSS-UHFFFAOYSA-N
SMILES:
CCCCCC=Cc1c(C)[nH]c2c(c1=O)cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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