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Home > Aldehydes > 864274-04-4
864274-04-4 | 2-Methylbenzo[d]oxazole-6-carbaldehyde
CAS No: 864274-04-4 Catalog No: AG004NLL MDL No:MFCD20528168
Product Description
Catalog Number:
AG004NLL
Chemical Name:
2-Methylbenzo[d]oxazole-6-carbaldehyde
CAS Number:
864274-04-4
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD20528168
IUPAC Name:
2-methyl-1,3-benzoxazole-6-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h2-5H,1H3
InChI Key:
ICPRUGIXGJLQHU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)oc(n2)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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