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Home > Aldehydes > 885273-46-1
885273-46-1 | 2-(Benzo[d][1,3]dioxol-5-yl)oxazole-4-carbaldehyde
CAS No: 885273-46-1 Catalog No: AG0046X1 MDL No:MFCD06738593
Product Description
Catalog Number:
AG0046X1
Chemical Name:
2-(Benzo[d][1,3]dioxol-5-yl)oxazole-4-carbaldehyde
CAS Number:
885273-46-1
Molecular Formula:
C11H7NO4
Molecular Weight:
217.1776
MDL Number:
MFCD06738593
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C11H7NO4/c13-4-8-5-14-11(12-8)7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2
InChI Key:
LKKAPSMWLSOIEN-UHFFFAOYSA-N
SMILES:
O=Cc1coc(n1)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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