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Home > Aldehydes > 1635437-16-9
1635437-16-9 | 3-(3,5-DIMETHYL-ISOXAZOL-4-YL)-BENZALDEHYDE
CAS No: 1635437-16-9 Catalog No: AG01CA17 MDL No:MFCD27937078
Product Description
Catalog Number:
AG01CA17
Chemical Name:
3-(3,5-DIMETHYL-ISOXAZOL-4-YL)-BENZALDEHYDE
CAS Number:
1635437-16-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD27937078
IUPAC Name:
3-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
InChI:
InChI=1S/C12H11NO2/c1-8-12(9(2)15-13-8)11-5-3-4-10(6-11)7-14/h3-7H,1-2H3
InChI Key:
XJXVEYLKVSDPHZ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1c(C)noc1C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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