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1,3-benzoxazole-6-carbaldehyde

1,3-benzoxazole-6-carbaldehyde

CAS: 865449-97-4

Formula: C8H5NO2

SMILES: O=CC1=CC=C2N=COC2=C1

IUPAC: 1,3-benzoxazole-6-carbaldehyde

InChI: InChI=1S/C8H5NO2/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H

Composition: C (65.31%), H (3.43%), N (9.52%), O (21.75%)

Molar Mass: 147.133

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 147.032028405
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AAXBJXNWZVAVDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.31
Topological Polar Surface Area 43.1
Polarizability 15.72
Ring Count 2
Rotatable Bond Count 1

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