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883797-61-3 | 1-butylquinoline-2,4(1H,3H)-dione
CAS No: 883797-61-3 Catalog No: AG00JCZM MDL No:MFCD01026146
Product Description
Catalog Number:
AG00JCZM
Chemical Name:
1-butylquinoline-2,4(1H,3H)-dione
CAS Number:
883797-61-3
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD01026146
IUPAC Name:
1-butylquinoline-2,4-dione
InChI:
InChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7H,2-3,8-9H2,1H3
InChI Key:
VBGFLYWUTPWXPK-UHFFFAOYSA-N
SMILES:
CCCCN1C(=O)CC(=O)c2c1cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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