| CAS Number | 29786-45-6 |
| Catalog Number | AG00BJOS(AGN-PC-03HG9V) |
| Chemical Name | 1-(4-Methoxyphenyl)cyclobutanecarbonitrile |
| IUPAC Name | 1-(4-methoxyphenyl)cyclobutane-1-carbonitrile |
| InChI | InChI=1S/C12H13NO/c1-14-11-5-3-10(4-6-11)12(9-13)7-2-8-12/h3-6H,2,7-8H2,1H3 |
| InChI Key | KKMVJOZLYNVVSK-UHFFFAOYSA-N |
| MDL Number | MFCD00297175 |
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.2377 |
| SMILES | COC1=CC=C(C=C1)C1(CCC1)C#N |
| Synonyms | 1-(4-Methoxyphenyl)cyclobutanecarbonitrile,
29786-45-6,
1-(4-Methoxyphenyl)cyclobutane-1-carbonitrile,
1-(4-methoxyphenyl)cyclobutane carbonitrile,
SCHEMBL3444680,
CTK4G3821,
KS-00003KRP,
DTXSID40619776,
KKMVJOZLYNVVSK-UHFFFAOYSA-N,
ANW-71715,
MFCD00297175,
SBB055159,
ZINC34940476,
AKOS009265272,
CS-W000685,
FS-2686,
AJ-90455,
SY019023,
TC-160460,
MFCD00297175 (95%),
1- cyclobutanecarbonitrile,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.242g/mol |
| Monoisotopic Mass | 187.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number