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88107-78-2 | 9H-Carbazole-9-propanoic acid, 3-formyl-, methyl ester
CAS No: 88107-78-2 Catalog No: AG004E9X MDL No:
Product Description
Catalog Number:
AG004E9X
Chemical Name:
9H-Carbazole-9-propanoic acid, 3-formyl-, methyl ester
CAS Number:
88107-78-2
Molecular Formula:
C17H15NO3
Molecular Weight:
281.3059
IUPAC Name:
methyl 3-(3-formylcarbazol-9-yl)propanoate
InChI:
InChI=1S/C17H15NO3/c1-21-17(20)8-9-18-15-5-3-2-4-13(15)14-10-12(11-19)6-7-16(14)18/h2-7,10-11H,8-9H2,1H3
InChI Key:
BPDSSAXYTZRYGS-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1c2ccc(cc2c2c1cccc2)C=O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.311g/mol
Monoisotopic Mass:
281.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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