| CAS Number | 927833-58-7 |
| Catalog Number | AG00IHBW(AGN-PC-00S3CO) |
| Chemical Name | 1-Methyl-4-(1-methylcyclopent-3-en-1-yl)benzene |
| IUPAC Name | 1-methyl-4-(1-methylcyclopent-3-en-1-yl)benzene |
| InChI | InChI=1S/C13H16/c1-11-5-7-12(8-6-11)13(2)9-3-4-10-13/h3-8H,9-10H2,1-2H3 |
| InChI Key | AEWRDKYQHGVEHS-UHFFFAOYSA-N |
| MDL Number | MFCD10699574 |
| Molecular Formula | C13H16 |
| Molecular Weight | 172.2661 |
| SMILES | Cc1ccc(cc1)C1(C)CC=CC1 |
| Synonyms | 1-Methyl-4-(1-methylcyclopent-3-en-1-yl)benzene,
927833-58-7,
MFCD10699574,
ZINC59671692,
AKOS006305816,
4-Methyl-4-(4-methylphenyl)-1-cyclopentene,
CS-0038623,
Benzene, 1-methyl-4-(1-methyl-3-cyclopenten-1-yl)-,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.271g/mol |
| Monoisotopic Mass | 172.125g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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