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Home > Aldehydes > 179057-31-9
179057-31-9 | Benzaldehyde, 4-(5-oxazolyl)-
CAS No: 179057-31-9 Catalog No: AG0026QI MDL No:MFCD08669909
Product Description
Catalog Number:
AG0026QI
Chemical Name:
Benzaldehyde, 4-(5-oxazolyl)-
CAS Number:
179057-31-9
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD08669909
IUPAC Name:
4-(1,3-oxazol-5-yl)benzaldehyde
InChI:
InChI=1S/C10H7NO2/c12-6-8-1-3-9(4-2-8)10-5-11-7-13-10/h1-7H
InChI Key:
GDXLZBAOBKGCEK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cnco1
Properties
Complexity:
176
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:
1.5
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