Mol:
98-98-6.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
5.4386 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 2 0 0 0 0
M END
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2-吡啶甲酸 MDL: MFCD00006293
2-吡啶甲酸 InChIKey: SIOXPEMLGUPBBT-UHFFFAOYSA-N
2-吡啶甲酸 Inchi: 1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
2-吡啶甲酸 SMILES: O=C(O)C1=CC=CC=N1
2-吡啶甲酸 BRN: 109595