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Home > Aldehydes > 893612-32-3
893612-32-3 | Imidazo[1,2-a]pyrimidine-3-carboxaldehyde,2-(1,3-benzodioxol-5-yl)-
CAS No: 893612-32-3 Catalog No: AG003YWY MDL No:MFCD08056178
Product Description
Catalog Number:
AG003YWY
Chemical Name:
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde,2-(1,3-benzodioxol-5-yl)-
CAS Number:
893612-32-3
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
MDL Number:
MFCD08056178
IUPAC Name:
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
InChI:
InChI=1S/C14H9N3O3/c18-7-10-13(16-14-15-4-1-5-17(10)14)9-2-3-11-12(6-9)20-8-19-11/h1-7H,8H2
InChI Key:
UNUOLMGKUCREMH-UHFFFAOYSA-N
SMILES:
O=Cc1c(nc2n1cccn2)c1ccc2c(c1)OCO2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.244g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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