Cas no 331-89-5 (3-(3,4-Dihydroxyphenyl)prop-2-enoic acid)
331-89-5 structure
Product Name:3-(3,4-Dihydroxyphenyl)prop-2-enoic acid
CAS No:331-89-5
MF:C9H8O4
MW:180.157423019409
CID:917686
Update Time:2023-08-02
3-(3,4-Dihydroxyphenyl)prop-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
- 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
- Spectrum_001686
- SpecPlus_000528
- Spectrum2_001612
- Prestwick1_000902
- Spectrum4_001694
- DSSTox_CID_231
- Prestwick0_000902
- DSSTox_RID_75447
- 3,4-dihydroxy cinnamic acid
- DSSTox_GSID_20231
- KBioSS_002166
- KBioGR_001988
- KSC223S2D
- DivK1c_006624
- SPBio_001643
- SPBio_002943
- KBio2_002166
- KBio2_004734
- KBio1_001568
- KBio2_007302
- trans-3,4-Dihydroxycinn
- 3-(3,4-Dihydroxyphenyl)prop-2-enoic acid
-
- Inchi： 1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
- InChI Key： QAIPRVGONGVQAS-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC(C=CC(=O)O)=C1)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 212
- XLogP3: 1.2
- Topological Polar Surface Area: 77.8
Experimental Properties
- Melting Point: 211-213?°C (dec.)(lit.)
- Solubility: ethanol: 50?mg/mL
3-(3,4-Dihydroxyphenyl)prop-2-enoic acid Security Information
- WGK Germany：3
- Hazard Category Code： 36/37/38-40-63-68
- Safety Instruction： 26-36/37/39
- RTECS：GD8950000
-
Hazardous Material Identification：
3-(3,4-Dihydroxyphenyl)prop-2-enoic acid Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Hydroxycinnamic acids
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