2-Oxocycloheptanecarbonitrile - CAS 7391-45-9
Catalog: |
BB034950 |
Product Name: |
2-Oxocycloheptanecarbonitrile |
CAS: |
7391-45-9 |
Synonyms: |
2-oxo-1-cycloheptanecarbonitrile; 2-oxocycloheptane-1-carbonitrile |
IUPAC Name: | 2-oxocycloheptane-1-carbonitrile |
Description: | 2-Oxocycloheptanecarbonitrile (CAS# 7391-45-9) is a useful research chemical. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | C1CCC(C(=O)CC1)C#N |
InChI: | InChI=1S/C8H11NO/c9-6-7-4-2-1-3-5-8(7)10/h7H,1-5H2 |
InChI Key: | BRYGFWGUISGAND-UHFFFAOYSA-N |
LogP: | 1.65938 |
Publication Number | Title | Priority Date |
TW-200934783-A | Furo[3,2-d]pyrimidine derivatives | 20071030 |
WO-2009056551-A1 | Furo[3,2-d]pyrimidine derivatives | 20071030 |
US-2003171592-A1 | Process for producing optically active amino alcohols and intermediates therefore | 20011031 |
US-6686505-B2 | Process for producing optically active amino alcohols and intermediates therefore | 20011031 |
JP-3531169-B2 | Fused heterocyclic compounds and their pharmaceutical uses | 19960611 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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