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Home > Aldehydes > 933718-95-7
933718-95-7 | 1,2-benzoxazole-5-carbaldehyde
CAS No: 933718-95-7 Catalog No: AG01ALJT MDL No:MFCD13190361
Product Description
Catalog Number:
AG01ALJT
Chemical Name:
1,2-benzoxazole-5-carbaldehyde
CAS Number:
933718-95-7
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD13190361
IUPAC Name:
1,2-benzoxazole-5-carbaldehyde
InChI:
InChI=1S/C8H5NO2/c10-5-6-1-2-8-7(3-6)4-9-11-8/h1-5H
InChI Key:
GXCUESGFJHQYEY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cno2
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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