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72418-40-7 | 3-Phenylisoxazole-5-carbaldehyde
CAS No: 72418-40-7 Catalog No: AG003JVQ MDL No:MFCD09817543
Product Description
Catalog Number:
AG003JVQ
Chemical Name:
3-Phenylisoxazole-5-carbaldehyde
CAS Number:
72418-40-7
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD09817543
IUPAC Name:
3-phenyl-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C10H7NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
SZXMDUKWIYIKKS-UHFFFAOYSA-N
SMILES:
O=Cc1onc(c1)c1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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