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Home > Pyridines > 866138-46-7
866138-46-7 | (2E)-2-[(pyridin-3-yl)methylidene]-2,3,4,9-tetrahydro-1H-carbazol-1-one
CAS No: 866138-46-7 Catalog No: AG00IVY0 MDL No:MFCD04126187
Product Description
Catalog Number:
AG00IVY0
Chemical Name:
(2E)-2-[(pyridin-3-yl)methylidene]-2,3,4,9-tetrahydro-1H-carbazol-1-one
CAS Number:
866138-46-7
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
MDL Number:
MFCD04126187
IUPAC Name:
2-(pyridin-3-ylmethylidene)-4,9-dihydro-3H-carbazol-1-one
InChI:
InChI=1S/C18H14N2O/c21-18-13(10-12-4-3-9-19-11-12)7-8-15-14-5-1-2-6-16(14)20-17(15)18/h1-6,9-11,20H,7-8H2
InChI Key:
URYCQYQNCZJJIW-UHFFFAOYSA-N
SMILES:
O=C1/C(=C/c2cccnc2)/CCc2c1[nH]c1c2cccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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