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88107-80-6 | 9H-Carbazole-9-propanoic acid, 3-formyl-, butyl ester
CAS No: 88107-80-6 Catalog No: AG004E9W MDL No:
Product Description
Catalog Number:
AG004E9W
Chemical Name:
9H-Carbazole-9-propanoic acid, 3-formyl-, butyl ester
CAS Number:
88107-80-6
Molecular Formula:
C20H21NO3
Molecular Weight:
323.3856
IUPAC Name:
butyl 3-(3-formylcarbazol-9-yl)propanoate
InChI:
InChI=1S/C20H21NO3/c1-2-3-12-24-20(23)10-11-21-18-7-5-4-6-16(18)17-13-15(14-22)8-9-19(17)21/h4-9,13-14H,2-3,10-12H2,1H3
InChI Key:
RZXMJZCWLXFANM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCn1c2ccc(cc2c2c1cccc2)C=O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.392g/mol
Monoisotopic Mass:
323.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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