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Home > Aldehydes > 646038-77-9
646038-77-9 | 2-Furancarboxaldehyde, 5-(1,3-benzodioxol-5-yl)-3-methyl-
CAS No: 646038-77-9 Catalog No: AG006T3Y MDL No:
Product Description
Catalog Number:
AG006T3Y
Chemical Name:
2-Furancarboxaldehyde, 5-(1,3-benzodioxol-5-yl)-3-methyl-
CAS Number:
646038-77-9
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
5-(1,3-benzodioxol-5-yl)-3-methylfuran-2-carbaldehyde
InChI:
InChI=1S/C13H10O4/c1-8-4-11(17-13(8)6-14)9-2-3-10-12(5-9)16-7-15-10/h2-6H,7H2,1H3
InChI Key:
OWAOLPNOBYUZGV-UHFFFAOYSA-N
SMILES:
O=Cc1oc(cc1C)c1ccc2c(c1)OCO2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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