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Home > Aldehydes > 1492303-37-3
1492303-37-3 | 4-Benzoxazolecarboxaldehyde
CAS No: 1492303-37-3 Catalog No: AG001LH3 MDL No:
Product Description
Catalog Number:
AG001LH3
Chemical Name:
4-Benzoxazolecarboxaldehyde
CAS Number:
1492303-37-3
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
IUPAC Name:
1,3-benzoxazole-4-carbaldehyde
InChI:
InChI=1S/C8H5NO2/c10-4-6-2-1-3-7-8(6)9-5-11-7/h1-5H
InChI Key:
JMDWCJKHCBSPBS-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1nco2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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