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3,6-dimethyl 9H-carbazole-3,6-dicarboxylate

3,6-dimethyl 9H-carbazole-3,6-dicarboxylate

CAS: 22404-78-0

Formula: C16H13NO4

SMILES: COC(=O)C1=CC2=C(NC3=C2C=C(C=C3)C(=O)OC)C=C1

IUPAC: 3,6-dimethyl 9H-carbazole-3,6-dicarboxylate

InChI: InChI=1S/C16H13NO4/c1-20-15(18)9-3-5-13-11(7-9)12-8-10(16(19)21-2)4-6-14(12)17-13/h3-8,17H,1-2H3

Composition: C (67.84%), H (4.63%), N (4.94%), O (22.59%)

Molar Mass: 283.283

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 283.084457903
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MSIMLJKNXDMHNO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.52
Topological Polar Surface Area 68.39
Polarizability 31.88
Ring Count 3
Rotatable Bond Count 4

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