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Home > Aldehydes > 852180-62-2
852180-62-2 | 3-Isoxazolecarboxaldehyde,5-(2-furanyl)-
CAS No: 852180-62-2 Catalog No: AG004MFG MDL No:MFCD08060508
Product Description
Catalog Number:
AG004MFG
Chemical Name:
3-Isoxazolecarboxaldehyde,5-(2-furanyl)-
CAS Number:
852180-62-2
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD08060508
IUPAC Name:
5-(furan-2-yl)-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C8H5NO3/c10-5-6-4-8(12-9-6)7-2-1-3-11-7/h1-5H
InChI Key:
IAHMVRCTECLFMG-UHFFFAOYSA-N
SMILES:
O=Cc1noc(c1)c1ccco1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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