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Home > Aldehydes > 893736-45-3
893736-45-3 | Benzaldehyde,3-(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)-
CAS No: 893736-45-3 Catalog No: AG003YUS MDL No:
Product Description
Catalog Number:
AG003YUS
Chemical Name:
Benzaldehyde,3-(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)-
CAS Number:
893736-45-3
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
3-(1-oxo-2,3-dihydroinden-4-yl)benzaldehyde
InChI:
InChI=1S/C16H12O2/c17-10-11-3-1-4-12(9-11)13-5-2-6-15-14(13)7-8-16(15)18/h1-6,9-10H,7-8H2
InChI Key:
KMIAPJNDPAMOAL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cccc2c1CCC2=O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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