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Home > Aldehydes > 1306606-85-8
1306606-85-8 | 5-acetyl-2,3-dihydro-1H-isoindole-2-carbaldehyde
CAS No: 1306606-85-8 Catalog No: AG01AI8O MDL No:MFCD18838939
Product Description
Catalog Number:
AG01AI8O
Chemical Name:
5-acetyl-2,3-dihydro-1H-isoindole-2-carbaldehyde
CAS Number:
1306606-85-8
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD18838939
IUPAC Name:
5-acetyl-1,3-dihydroisoindole-2-carbaldehyde
InChI:
InChI=1S/C11H11NO2/c1-8(14)9-2-3-10-5-12(7-13)6-11(10)4-9/h2-4,7H,5-6H2,1H3
InChI Key:
PNGPOBIRQFAOCS-UHFFFAOYSA-N
SMILES:
O=CN1Cc2c(C1)cc(cc2)C(=O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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