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29924-67-2 | 2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile
CAS No: 29924-67-2 Catalog No: AG00BKCL MDL No:
Product Description
Catalog Number:
AG00BKCL
Chemical Name:
2-Acetyl-1,2-dihydro-1-isoquinolinecarbonitrile
CAS Number:
29924-67-2
IUPAC Name:
2-acetyl-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C12H10N2O/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13/h2-7,12H,1H3
InChI Key:
CJWDCOSZJPAVOA-UHFFFAOYSA-N
NSC Number:
131493
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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