Cas no 920525-50-4 (2H-1-Benzopyran-3-propanoic acid, 2-oxo-, methyl ester)
920525-50-4 structure
Product Name:2H-1-Benzopyran-3-propanoic acid, 2-oxo-, methyl ester
CAS No:920525-50-4
MF:C13H12O4
MW:232.231984138489
CID:756117
PubChem ID:57692970
Update Time:2025-04-19
2H-1-Benzopyran-3-propanoic acid, 2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-3-propanoic acid, 2-oxo-, methyl ester
- methyl 3-(2-oxochromen-3-yl)propanoate
- 920525-50-4
- DTXSID50727553
- SCHEMBL5294261
- Methyl 3-(2-oxo-2H-1-benzopyran-3-yl)propanoate
-
- Inchi： 1S/C13H12O4/c1-16-12(14)7-6-10-8-9-4-2-3-5-11(9)17-13(10)15/h2-5,8H,6-7H2,1H3
- InChI Key： BVSPRKZMMRGVKI-UHFFFAOYSA-N
- SMILES： O1C(C(=CC2C=CC=CC1=2)CCC(=O)OC)=O
Computed Properties
- Exact Mass: 232.07355886g/mol
- Monoisotopic Mass: 232.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 345
- 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: 2
- Topological Polar Surface Area: 52.6?2
2H-1-Benzopyran-3-propanoic acid, 2-oxo-, methyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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