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About This Item
經驗公式（希爾表示法）:
C12H12O5
CAS號碼:
分子量：:
236.22
MDL號碼:
分類程式碼代碼:
12352205
PubChem物質ID:
NACRES:
NA.25
推薦產品
化驗
≥95% (LC/MS-ELSD)
形狀
solid
應用
metabolomics
vitamins, nutraceuticals, and natural products
儲存溫度
−20°C
SMILES 字串
O1C=C2[C@@H]([C@](C(=O)C(=C2C=C1C)C=O)(O)C)O
InChI
1S/C12H12O5/c1-6-3-7-8(4-13)10(14)12(2,16)11(15)9(7)5-17-6/h3-5,11,15-16H,1-2H3/t11-,12-/m0/s1
InChI 密鑰
QVMUHZHZYCDMAI-RYUDHWBXSA-N
一般說明
Natural product derived from fungal source.
訊號詞
Danger
危險聲明
危險分類
Acute Tox. 3 Oral - Repr. 1B
儲存類別代碼
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
水污染物質分類（WGK）
WGK 3
閃點（°F）
Not applicable
閃點（°C）
Not applicable
從最近期的版本中選擇一個：
Leonardo Lo Presti et al.
The journal of physical chemistry. B, 110(12), 6405-6414 (2006-03-24)
The total experimental electron density rho(r), its Laplacian inverted delta(2)rho(r), the molecular dipole moment, the electrostatic potential phi(r), and the intermolecular interaction energies have been obtained from an extensive set of single-crystal X-ray diffracted intensities, collected at T = 70(1)
Leonardo Lo Presti et al.
Acta crystallographica. Section C, Crystal structure communications, 59(Pt 4), O199-O201 (2003-04-12)
The title compound, (7R,8S)-7,8-dihydroxy-3,7-dimethyl-6-oxo-7,8-dihydro-6H-isochromene-5-carbaldehyde, C(12)H(12)O(5), is a trans-vicinal diol. Of the two fused rings, which lie approximately in the same plane, the pyran ring is almost perfectly planar, while the cyclohexenone ring adopts a slightly distorted half-chair conformation. The crystal
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