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123770-87-6 | 2-Propenoic acid, 2-cyano-3-(9-ethyl-9H-carbazol-3-yl)-, ethyl ester
CAS No: 123770-87-6 Catalog No: AG000L2O MDL No:MFCD27924197
Product Description
Catalog Number:
AG000L2O
Chemical Name:
2-Propenoic acid, 2-cyano-3-(9-ethyl-9H-carbazol-3-yl)-, ethyl ester
CAS Number:
123770-87-6
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
MDL Number:
MFCD27924197
IUPAC Name:
ethyl 2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enoate
InChI:
InChI=1S/C20H18N2O2/c1-3-22-18-8-6-5-7-16(18)17-12-14(9-10-19(17)22)11-15(13-21)20(23)24-4-2/h5-12H,3-4H2,1-2H3
InChI Key:
WBOVBXRAAPCSIZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=Cc1ccc2c(c1)c1ccccc1n2CC)C#N
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Ethyl (Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)prop-2-enoate. | Acta crystallographica. Section E, Structure reports online 20090501 |
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