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Home > Aldehydes > 808739-26-6
808739-26-6 | 3-(Benzo[d][1,3]dioxol-5-yl)isoxazole-5-carbaldehyde
CAS No: 808739-26-6 Catalog No: AG0050TU MDL No:MFCD06738501
Product Description
Catalog Number:
AG0050TU
Chemical Name:
3-(Benzo[d][1,3]dioxol-5-yl)isoxazole-5-carbaldehyde
CAS Number:
808739-26-6
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD06738501
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C11H7NO4/c13-5-8-4-9(12-16-8)7-1-2-10-11(3-7)15-6-14-10/h1-5H,6H2
InChI Key:
KHQNHCFTMQNZCA-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.18g/mol
Monoisotopic Mass:
217.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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