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200698-05-1 | 9H-Carbazole-3,6-dicarboxaldehyde, 9-(phenylmethyl)-
CAS No: 200698-05-1 Catalog No: AG002CWL MDL No:
Product Description
Catalog Number:
AG002CWL
Chemical Name:
9H-Carbazole-3,6-dicarboxaldehyde, 9-(phenylmethyl)-
CAS Number:
200698-05-1
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
9-benzylcarbazole-3,6-dicarbaldehyde
InChI:
InChI=1S/C21H15NO2/c23-13-16-6-8-20-18(10-16)19-11-17(14-24)7-9-21(19)22(20)12-15-4-2-1-3-5-15/h1-11,13-14H,12H2
InChI Key:
RZSXZJXJVWYRIU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)c1cc(C=O)ccc1n2Cc1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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