Cas no 650597-67-4 (1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)-)
650597-67-4 structure
Product Name:1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)-
CAS No:650597-67-4
MF:C10H10O4
MW:194.184003353119
CID:409093
PubChem ID:735508
Update Time:2025-04-19
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)-
- DTXSID80352796
- AC1LEG1W
- 650597-67-4
-
- Inchi： 1S/C10H10O4/c1-12-10(11)9-6-13-7-4-2-3-5-8(7)14-9/h2-5,9H,6H2,1H3/t9-/m1/s1
- InChI Key： SNLAAGHHNZECPE-SECBINFHSA-N
- SMILES： O1C2C=CC=CC=2OC[C@@H]1C(=O)OC
Computed Properties
- Exact Mass: 194.0579
- Monoisotopic Mass: 194.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
650597-67-4 (1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, methyl ester, (2R)-) Related Products
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