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Home > Aldehydes > 2060033-90-9
2060033-90-9 | 3-hydroxy-1,2-benzoxazole-6-carbaldehyde
CAS No: 2060033-90-9 Catalog No: AG01BW5D MDL No:MFCD30476795
Product Description
Catalog Number:
AG01BW5D
Chemical Name:
3-hydroxy-1,2-benzoxazole-6-carbaldehyde
CAS Number:
2060033-90-9
Molecular Formula:
C8H5NO3
Molecular Weight:
163.1302
MDL Number:
MFCD30476795
IUPAC Name:
3-oxo-1,2-benzoxazole-6-carbaldehyde
InChI:
InChI=1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-9-8(6)11/h1-4H,(H,9,11)
InChI Key:
NCHUSRCLOCGANO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)onc2O
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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