Mol:
499-83-2.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
8.1580 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
吡啶-2,6-二羧酸 MDL: MFCD00006299
吡啶-2,6-二羧酸 InChIKey: WJJMNDUMQPNECX-UHFFFAOYSA-N
吡啶-2,6-二羧酸 Inchi: 1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
吡啶-2,6-二羧酸 SMILES: O([H])C(C1C([H])=C([H])C([H])=C(C(=O)O[H])N=1)=O
吡啶-2,6-二羧酸 BRN: 131629