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Home > Aldehydes > 251912-68-2
251912-68-2 | 5-Isoxazolecarboxaldehyde, 3-(3-methoxyphenyl)-
CAS No: 251912-68-2 Catalog No: AG002QTO MDL No:MFCD06738506
Product Description
Catalog Number:
AG002QTO
Chemical Name:
5-Isoxazolecarboxaldehyde, 3-(3-methoxyphenyl)-
CAS Number:
251912-68-2
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD06738506
IUPAC Name:
3-(3-methoxyphenyl)-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C11H9NO3/c1-14-9-4-2-3-8(5-9)11-6-10(7-13)15-12-11/h2-7H,1H3
InChI Key:
VQESCRHKDYWZSF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1noc(c1)C=O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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