4-phenyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione

• ChemBase编号: 221541
• 分子式: C19H12O4
• 平均质量: 304.29618
• 单一同位素质量: 304.07355886
• SMILES: C12=C(C(=O)c3c(C1=O)cccc3)OC(=O)CC2c1ccccc1
• Canonical SMILES: O=C1CC(c2ccccc2)C2=C(O1)C(=O)c1c(C2=O)cccc1
• InChI: InChI=1S/C19H12O4/c20-15-10-14(11-6-2-1-3-7-11)16-17(21)12-8-4-5-9-13(12)18(22)19(16)23-15/h1-9,14H,10H2
• InChIKey: NPUBSAIVYMCWQP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-phenyl-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione
• IUPAC传统名: 4-phenyl-3H,4H-naphtho[2,3-b]pyran-2,5,10-trione

登记号

• PubChem SID: 164277451
• PubChem CID: 42648835

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.4951015
• LogD (pH = 7.4): 2.4951015
• Log P: 2.4951015
• 摩尔折射率: 84.5265 cm^3
• 极化性: 31.981092 Å^3
• 极化表面积: 60.44 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds