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4888-33-9 | 4-phenyl-3,4-dihydroquinolin-2(1h)-one
CAS No: 4888-33-9 Catalog No: AG006VZ8 MDL No:
Product Description
Catalog Number:
AG006VZ8
Chemical Name:
4-phenyl-3,4-dihydroquinolin-2(1h)-one
CAS Number:
4888-33-9
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
4-phenyl-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C15H13NO/c17-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)16-15/h1-9,13H,10H2,(H,16,17)
InChI Key:
DEJKVLIJTMGIIR-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C(C1)c1ccccc1
NSC Number:
116961
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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