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648448-98-0 | 3-Methylbenzo[d]isoxazole-5-carbaldehyde
CAS No: 648448-98-0 Catalog No: AG006SSL MDL No:MFCD18804969
Product Description
Catalog Number:
AG006SSL
Chemical Name:
3-Methylbenzo[d]isoxazole-5-carbaldehyde
CAS Number:
648448-98-0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD18804969
IUPAC Name:
3-methyl-1,2-benzoxazole-5-carbaldehyde
InChI:
InChI=1S/C9H7NO2/c1-6-8-4-7(5-11)2-3-9(8)12-10-6/h2-5H,1H3
InChI Key:
RVYHKGGVVXARJG-UHFFFAOYSA-N
SMILES:
Cc1noc2c1cc(C=O)cc2
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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