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Home > Aldehydes > 201036-31-9
201036-31-9 | Benzaldehyde, 4-(1H-indol-1-yl)-
CAS No: 201036-31-9 Catalog No: AG002D6F MDL No:
Product Description
Catalog Number:
AG002D6F
Chemical Name:
Benzaldehyde, 4-(1H-indol-1-yl)-
CAS Number:
201036-31-9
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
1-(4-formylphenyl)indole-5-carboxylic acid
InChI:
InChI=1S/C16H11NO3/c18-10-11-1-4-14(5-2-11)17-8-7-12-9-13(16(19)20)3-6-15(12)17/h1-10H,(H,19,20)
InChI Key:
KAVMFBDXYINUHG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1ccc2c1cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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