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Home > Aldehydes > 865449-97-4
865449-97-4 | Benzo[d]oxazole-6-carbaldehyde
CAS No: 865449-97-4 Catalog No: AG004PQK MDL No:MFCD11040758
Product Description
Catalog Number:
AG004PQK
Chemical Name:
Benzo[d]oxazole-6-carbaldehyde
CAS Number:
865449-97-4
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD11040758
IUPAC Name:
1,3-benzoxazole-6-carbaldehyde
InChI:
InChI=1S/C8H5NO2/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H
InChI Key:
AAXBJXNWZVAVDH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)ocn2
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:
1.1
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