Cas no 179321-60-9 (6-(Benzyloxy)pyrazine-2-carboxylic acid)
179321-60-9 structure
Product Name:6-(Benzyloxy)pyrazine-2-carboxylic acid
CAS No:179321-60-9
MF:C12H10N2O3
MW:230.21940279007
CID:2108002
Update Time:2023-08-03
6-(Benzyloxy)pyrazine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 6-(benzyloxy)pyrazine-2-carboxylic acid
- 6-benzyloxy-2-pyrazinoic acid
- INWXUSXDYYNSLM-UHFFFAOYSA-N
- 6-(Benzyloxy)pyrazine-2-carboxylic acid
-
- Inchi： 1S/C12H10N2O3/c15-12(16)10-6-13-7-11(14-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
- InChI Key： INWXUSXDYYNSLM-UHFFFAOYSA-N
- SMILES： O(C1C=NC=C(C(=O)O)N=1)CC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 254
- Topological Polar Surface Area: 72.3
6-(Benzyloxy)pyrazine-2-carboxylic acid Related Literature
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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