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Home > Aldehydes > 1379095-67-6
1379095-67-6 | 3-HYDROXY-1,2-BENZOXAZOLE-5-CARBALDEHYDE
CAS No: 1379095-67-6 Catalog No: AG01BW5E MDL No:MFCD18073929
Product Description
Catalog Number:
AG01BW5E
Chemical Name:
3-HYDROXY-1,2-BENZOXAZOLE-5-CARBALDEHYDE
CAS Number:
1379095-67-6
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD18073929
IUPAC Name:
3-oxo-1,2-benzoxazole-5-carbaldehyde
InChI:
InChI=1S/C8H5NO3/c10-4-5-1-2-7-6(3-5)8(11)9-12-7/h1-4H,(H,9,11)
InChI Key:
NSTABBRGHHFSEN-UHFFFAOYSA-N
SMILES:
Oc1noc2c1cc(C=O)cc2
Properties
Complexity:
216
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.132g/mol
Monoisotopic Mass:
163.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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