Cas no 1329996-84-0 (Pyrrolo[3,4-c]pyrazole-2(4H)-acetic acid, 5,6-dihydro-, methyl ester)
![Pyrrolo[3,4-c]pyrazole-2(4H)-acetic acid, 5,6-dihydro-, methyl ester structure](https://ossimg.kuujia.com/scimg/1330000/1329996-84-0x500.png)
1329996-84-0 structure
Product Name:Pyrrolo[3,4-c]pyrazole-2(4H)-acetic acid, 5,6-dihydro-, methyl ester
CAS No:1329996-84-0
MF:C8H11N3O2
MW:181.191841363907
CID:2126479
Update Time:2023-08-04
Pyrrolo[3,4-c]pyrazole-2(4H)-acetic acid, 5,6-dihydro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(5,6-dihydropyrrolo[3,4-c]pyrazol-2(4H)-yl)acetate
- Pyrrolo[3,4-c]pyrazole-2(4H)-acetic acid, 5,6-dihydro-, methyl ester
-
- Inchi： 1S/C8H11N3O2/c1-13-8(12)5-11-4-6-2-9-3-7(6)10-11/h4,9H,2-3,5H2,1H3
- InChI Key： VZYLSQFIYHYGKR-UHFFFAOYSA-N
- SMILES： O(C)C(CN1C=C2CNCC2=N1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 210
- Topological Polar Surface Area: 56.2
Pyrrolo[3,4-c]pyrazole-2(4H)-acetic acid, 5,6-dihydro-, methyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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