3-formylbicyclo[1.1.1]pentane-1-carboxylic acid - CAS 406947-35-1
Catalog: |
BB024628 |
Product Name: |
3-formylbicyclo[1.1.1]pentane-1-carboxylic acid |
CAS: |
406947-35-1 |
Synonyms: |
3-formyl-1-bicyclo[1.1.1]pentanecarboxylic acid; 3-formylbicyclo[1.1.1]pentane-1-carboxylic acid |
IUPAC Name: | 3-formylbicyclo[1.1.1]pentane-1-carboxylic acid |
Description: | 3-formylbicyclo[1.1.1]pentane-1-carboxylic acid (CAS# 406947-35-1 ) is a useful research chemical. |
Molecular Weight: | 140.138 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | C1C2(CC1(C2)C(=O)O)C=O |
InChI: | InChI=1S/C7H8O3/c8-4-6-1-7(2-6,3-6)5(9)10/h4H,1-3H2,(H,9,10) |
InChI Key: | GGENYTTTZYHGSU-UHFFFAOYSA-N |
LogP: | 0.44020 |
Publication Number | Title | Priority Date |
US-2020048242-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20180809 |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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