| CAS Number | 102035-35-8 |
| Catalog Number | AG01A651(AGN-PC-000JKJ) |
| Chemical Name | 6-Methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile |
| IUPAC Name | 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile |
| InChI | InChI=1S/C12H13NO/c1-14-11-5-6-12-9(7-11)3-2-4-10(12)8-13/h5-7,10H,2-4H2,1H3 |
| InChI Key | YDZKXSJJOKITBK-UHFFFAOYSA-N |
| MDL Number | MFCD11537295 |
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.2377 |
| SMILES | N#CC1CCCC2=C1C=CC(OC)=C2 |
| Synonyms | 6-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbonitrile,
102035-35-8,
1-Cyano-6-methoxy-(1,2,3,4-tetrahydronaphthalene),
SCHEMBL9521714,
MFCD11537295,
AKOS009457897,
NE40374,
AS-43741,
|
| Complexity | 242 |
| 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 | 1 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number