(5,6,7,8-Tetrahydro-2-naphthoyl)acetonitrile - CAS 2623-25-8
Catalog: |
BB019207 |
Product Name: |
(5,6,7,8-Tetrahydro-2-naphthoyl)acetonitrile |
CAS: |
2623-25-8 |
Synonyms: |
3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile |
IUPAC Name: | 3-oxo-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile |
Description: | (5,6,7,8-Tetrahydro-2-naphthoyl)acetonitrile (CAS# 2623-25-8) is a useful research chemical. |
Molecular Weight: | 199.25 |
Molecular Formula: | C13H13NO |
Canonical SMILES: | C1CCC2=C(C1)C=CC(=C2)C(=O)CC#N |
InChI: | InChI=1S/C13H13NO/c14-8-7-13(15)12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7H2 |
InChI Key: | MMCQHIGQRVUVMS-UHFFFAOYSA-N |
LogP: | 2.66178 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021101901-A1 | Preparation of pyrazolo[3,4-b]pyridines as antimalarials | 20191004 |
WO-2021067967-A1 | Preparation of pyrazolo[3,4-b]pyridines as antimalarials | 20191004 |
JP-2018012834-A | Pigment composition, coloring composition and colored curable composition | 20160707 |
KR-20180006316-A | Pigment composition, colored composition and colored curable composition | 20160707 |
CN-107586469-B | Pigment composition, coloring composition, and coloring curable composition | 20160707 |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.099714038 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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