Mol:
20280-81-3.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4404 0.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4401 2.3571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 3.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 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 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 3 1 0 0 0 0
12 7 1 0 0 0 0
5 13 2 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。
4-甲氧基香豆素 MDL: MFCD00017349
4-甲氧基香豆素 InChIKey: MLCMXDYMSAZNPC-UHFFFAOYSA-N
4-甲氧基香豆素 Inchi: 1S/C10H8O3/c1-12-9-6-10(11)13-8-5-3-2-4-7(8)9/h2-6H,1H3
4-甲氧基香豆素 SMILES: O1C(C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)OC([H])([H])[H])=O
4-甲氧基香豆素 BRN: 145960