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Home > Aldehydes > 116169-82-5
116169-82-5 | 6-Benzoxazolecarboxaldehyde, 3-acetyl-2,3-dihydro-2-oxo-
CAS No: 116169-82-5 Catalog No: AG000BT5 MDL No:
Product Description
Catalog Number:
AG000BT5
Chemical Name:
6-Benzoxazolecarboxaldehyde, 3-acetyl-2,3-dihydro-2-oxo-
CAS Number:
116169-82-5
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
3-acetyl-2-oxo-1,3-benzoxazole-6-carbaldehyde
InChI:
InChI=1S/C10H7NO4/c1-6(13)11-8-3-2-7(5-12)4-9(8)15-10(11)14/h2-5H,1H3
InChI Key:
NMFPXPYFDGRMFL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)oc(=O)n2C(=O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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