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1,3-oxazole-4-carbaldehyde

1,3-oxazole-4-carbaldehyde

CAS: 118994-84-6

Formula: C4H3NO2

SMILES: O=CC1=COC=N1

IUPAC: 1,3-oxazole-4-carbaldehyde

InChI: InChI=1S/C4H3NO2/c6-1-4-2-7-3-5-4/h1-3H

Composition: C (49.49%), H (3.12%), N (14.43%), O (32.96%)

Molar Mass: 97.073

Atom Count: 10

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 97.016378341
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey JBWIIXBEPINWPB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 22.97
Topological Polar Surface Area 43.1
Polarizability 8.32
Ring Count 1
Rotatable Bond Count 1

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