Cas no 64750-37-4 (1,3-Oxazepine-4-carboxylic acid, hexahydro-2,7-dioxo-, (S)-)
64750-37-4 structure
Product Name:1,3-Oxazepine-4-carboxylic acid, hexahydro-2,7-dioxo-, (S)-
CAS No:64750-37-4
MF:C6H7NO5
MW:173.123481988907
CID:389571
PubChem ID:71371352
Update Time:2025-04-19
1,3-Oxazepine-4-carboxylic acid, hexahydro-2,7-dioxo-, (S)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Oxazepine-4-carboxylic acid, hexahydro-2,7-dioxo-, (S)-
- (4S)-2,7-dioxo-1,3-oxazepane-4-carboxylic acid
- DTXSID70794287
- 64750-37-4
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- Inchi： 1S/C6H7NO5/c8-4-2-1-3(5(9)10)7-6(11)12-4/h3H,1-2H2,(H,7,11)(H,9,10)/t3-/m0/s1
- InChI Key： VRNRPNSUIYUOTC-VKHMYHEASA-N
- SMILES： O1C(N[C@H](C(=O)O)CCC1=O)=O
Computed Properties
- Exact Mass: 173.03242232g/mol
- Monoisotopic Mass: 173.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 236
- 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: -0.6
- Topological Polar Surface Area: 92.7?2
1,3-Oxazepine-4-carboxylic acid, hexahydro-2,7-dioxo-, (S)- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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