Cas no 61404-52-2 (Benzenepropanoic acid,3,4,5-trimethoxy-a-oxo-)
61404-52-2 structure
Product Name:Benzenepropanoic acid,3,4,5-trimethoxy-a-oxo-
CAS No:61404-52-2
MF:C12H14O6
MW:254.235964298248
CID:511982
PubChem ID:230870
Update Time:2025-04-19
Benzenepropanoic acid,3,4,5-trimethoxy-a-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid,3,4,5-trimethoxy-a-oxo-
- 2-oxo-3-(3,4,5-trimethoxyphenyl)propanoic acid
- (3,4,5-Trimethoxy-phenyl)-brenztraubensaeure
- (3,4,5-trimethoxy-phenyl)-pyruvic acid
- 3-(3,4,5-trimethoxyphenyl)pyruvic acid
- 3.4.5-Trimethoxyphenylpyruvinsaeure
- AC1L5KGY
- AC1Q5RHD
- AR-1E4636
- CTK5B3188
- NSC26229
- SureCN9341764
-
- Inchi： 1S/C12H14O6/c1-16-9-5-7(4-8(13)12(14)15)6-10(17-2)11(9)18-3/h5-6H,4H2,1-3H3,(H,14,15)
- InChI Key： NYRJTUWNBNNATI-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=C(C=1)CC(C(=O)O)=O)OC)OC
Computed Properties
- Exact Mass: 254.07902
- Monoisotopic Mass: 254.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 289
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- Density: 1.255
- Boiling Point: 394°C at 760 mmHg
- Flash Point: 148.9°C
- Refractive Index: 1.525
- PSA: 82.06
- LogP: 0.90860
Benzenepropanoic acid,3,4,5-trimethoxy-a-oxo- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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