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Home > Aldehydes > 893736-47-5
893736-47-5 | Benzaldehyde,4-(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)-
CAS No: 893736-47-5 Catalog No: AG003WXZ MDL No:
Product Description
Catalog Number:
AG003WXZ
Chemical Name:
Benzaldehyde,4-(2,3-dihydro-2,3-dioxo-1H-indol-5-yl)-
CAS Number:
893736-47-5
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
4-(1-oxo-2,3-dihydroinden-4-yl)benzaldehyde
InChI:
InChI=1S/C16H12O2/c17-10-11-4-6-12(7-5-11)13-2-1-3-15-14(13)8-9-16(15)18/h1-7,10H,8-9H2
InChI Key:
MBWLTDZQUPIEMB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cccc2c1CCC2=O
Properties
Complexity:
328
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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