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Home > Aldehydes > 953408-85-0
953408-85-0 | 4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBALDEHYDE
CAS No: 953408-85-0 Catalog No: AG005S4R MDL No:MFCD11109318
Product Description
Catalog Number:
AG005S4R
Chemical Name:
4-METHYL-2-PHENYL-1,3-OXAZOLE-5-CARBALDEHYDE
CAS Number:
953408-85-0
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD11109318
IUPAC Name:
4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde
InChI:
InChI=1S/C11H9NO2/c1-8-10(7-13)14-11(12-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
NIYJTYPVRBYCEZ-UHFFFAOYSA-N
SMILES:
O=Cc1oc(nc1C)c1ccccc1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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