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5,6-dimethyl-1H-1,3-benzodiazole-2-carbaldehyde

5,6-dimethyl-1H-1,3-benzodiazole-2-carbaldehyde

CAS: 920484-85-1

Formula: C10H10N2O

SMILES: CC1=C(C)C=C2N=C(NC2=C1)C=O

IUPAC: 5,6-dimethyl-1H-1,3-benzodiazole-2-carbaldehyde

InChI: InChI=1S/C10H10N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-5H,1-2H3,(H,11,12)

Composition: C (68.95%), H (5.79%), N (16.08%), O (9.18%)

Molar Mass: 174.203

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 174.07931295
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KCPBNQLILGREDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.1
Topological Polar Surface Area 45.75
Polarizability 20.09
Ring Count 2
Rotatable Bond Count 1

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