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1342279-66-6 | 4-(isoquinolin-4-yl)butan-2-one
CAS No: 1342279-66-6 Catalog No: AG01BS7Q MDL No:MFCD20336798
Product Description
Catalog Number:
AG01BS7Q
Chemical Name:
4-(isoquinolin-4-yl)butan-2-one
CAS Number:
1342279-66-6
Molecular Formula:
C13H13NO
Molecular Weight:
199.2484
MDL Number:
MFCD20336798
IUPAC Name:
4-isoquinolin-4-ylbutan-2-one
InChI:
InChI=1S/C13H13NO/c1-10(15)6-7-12-9-14-8-11-4-2-3-5-13(11)12/h2-5,8-9H,6-7H2,1H3
InChI Key:
CPJAIQJYYDAEPM-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1cncc2c1cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.253g/mol
Monoisotopic Mass:
199.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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