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Home > Aldehydes > 893612-89-0
893612-89-0 | 3-Indolizinecarboxaldehyde,2-(1,3-benzodioxol-5-yl)-
CAS No: 893612-89-0 Catalog No: AG003X5G MDL No:MFCD08056205
Product Description
Catalog Number:
AG003X5G
Chemical Name:
3-Indolizinecarboxaldehyde,2-(1,3-benzodioxol-5-yl)-
CAS Number:
893612-89-0
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
MDL Number:
MFCD08056205
IUPAC Name:
2-(1,3-benzodioxol-5-yl)indolizine-3-carbaldehyde
InChI:
InChI=1S/C16H11NO3/c18-9-14-13(8-12-3-1-2-6-17(12)14)11-4-5-15-16(7-11)20-10-19-15/h1-9H,10H2
InChI Key:
XMLWUCQDJAEAPX-UHFFFAOYSA-N
SMILES:
O=Cc1c(cc2n1cccc2)c1ccc2c(c1)OCO2
Properties
Complexity:
375
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:
0
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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