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Merck
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文件

30-0060

Sigma-Aldrich

单宁酸

SAJ first grade

别名:

单宁, 没食子鞣酸

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About This Item

经验公式（希尔记法）:
C76H52O46
CAS号:
1401-55-4
分子量:
1701.20
Beilstein:
8186396
MDL號碼:
MFCD00066397
分類程式碼代碼:
12352106
PubChem物質ID:
329753406

等級

SAJ first grade

形狀

powder

自燃溫度

980 °F

存貨情形

available only in Japan

mp

218 °C (lit.)

SMILES 字串

Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OC[C@H]3O[C@@H](OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)[C@H](OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)[C@@H](OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)[C@@H]3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10

InChI

1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1

InChI 密鑰

LRBQNJMCXXYXIU-PPKXGCFTSA-N

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儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 2

閃點（°F）

390.0 °F

閃點（°C）

198.9 °C

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