Inchi | InChI=1S/C14H14O/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-11,15H,1H3 |
InChIKey | XHASMJXNUHCHBL-UHFFFAOYSA-N |
SMILES | CC(C1=CC=CC=C1)C2=CC=C(C=C2)O |
精确分子量 | 198.10400 |
氢键供体数量 | 1 |
氢键受体数量 | 1 |
重原子数量 | 15 |
可旋转化学键数量 | 2 |
密度 | 1.0074 (rough estimate) |
沸点 | 295.58°C (rough estimate) |
折射率 | 1.5381 (estimate) |
PSA | 20.23000 |
LogP | 3.54400 |
海关编码 | 2907199090 |
海关数据 |
中国海关编码:2907199090概述:2907199090 其他一元酚. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% 申报要素:品名, 成分含量, 用途 Summary:2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
SMILES
OC1=CC=C(C=C1)C(C)C2=CC=CC=C2