中文名稱:
4-溴-3-乙基-9-戊-2-烯-4-炔基-2,8-二氧雜雙環[5.2.1]癸烷-6-醇英文名稱: CAS No.:36431-73-9分子式: C15H21O3Br 分子量:329.22944
精確分子量 : 328.06743
PSA : 38.69
LogP : 2.41530
Mol:
0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0430 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6438 0.2049 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8722 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3628 2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
16 19 1 0 0 0 0
19 7 1 0 0 0 0
M END
中文名稱:
4-溴-3-乙基-9-戊-2-烯-4-炔基-2,8-二氧雜雙環[5.2.1]癸烷-6-醇英文名稱: CAS No.:36431-73-9分子式: C15H21O3Br 分子量:329.22944
計算特性精確分子量 : 328.06743
實驗特性PSA : 38.69
LogP : 2.41530
Mol:
0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0430 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6438 0.2049 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
3.4730 1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8722 0.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3628 2.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
16 19 1 0 0 0 0
19 7 1 0 0 0 0
M END