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851202-94-3 | 1-ACETYL-1,2,3,4-TETRAHYDROQUINOLINE-6-CARBONITRILE
CAS No: 851202-94-3 Catalog No: AG003DW4 MDL No:MFCD04035722
Product Description
Catalog Number:
AG003DW4
Chemical Name:
1-ACETYL-1,2,3,4-TETRAHYDROQUINOLINE-6-CARBONITRILE
CAS Number:
851202-94-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD04035722
IUPAC Name:
1-acetyl-3,4-dihydro-2H-quinoline-6-carbonitrile
InChI:
InChI=1S/C12H12N2O/c1-9(15)14-6-2-3-11-7-10(8-13)4-5-12(11)14/h4-5,7H,2-3,6H2,1H3
InChI Key:
OUSBYSBWTAUELS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCCN2C(=O)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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