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32511-84-5 | 1-butyl-4-methyl-2(1H)quinoline
CAS No: 32511-84-5 Catalog No: AG00CJEZ MDL No:MFCD11079287
Product Description
Catalog Number:
AG00CJEZ
Chemical Name:
1-butyl-4-methyl-2(1H)quinoline
CAS Number:
32511-84-5
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
MDL Number:
MFCD11079287
IUPAC Name:
1-butyl-4-methylquinolin-2-one
InChI:
InChI=1S/C14H17NO/c1-3-4-9-15-13-8-6-5-7-12(13)11(2)10-14(15)16/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
BDQRFECVDXBVMM-UHFFFAOYSA-N
SMILES:
CCCCn1c(=O)cc(c2c1cccc2)C
NSC Number:
109799
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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