2-(3,4-dimethylphenyl)-1,3-oxazole-4-carbaldehyde

2-(3,4-dimethylphenyl)-1,3-oxazole-4-carbaldehyde

CAS: 885273-32-5

Formula: C12H11NO2

SMILES: CC1=CC=C(C=C1C)C1=NC(C=O)=CO1

IUPAC: 2-(3,4-dimethylphenyl)-1,3-oxazole-4-carbaldehyde

InChI: InChI=1S/C12H11NO2/c1-8-3-4-10(5-9(8)2)12-13-11(6-14)7-15-12/h3-7H,1-2H3

Composition: C (71.63%), H (5.51%), N (6.96%), O (15.90%)

Molar Mass: 201.225

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	201.078978598
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WHCYEAQWWRLBRQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.15
Topological Polar Surface Area	43.1
Polarizability	22.01
Ring Count	2
Rotatable Bond Count	2

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