| CAS Number | 5333-31-3 |
| Catalog Number | AG01AEMO(AGN-PC-0AMD8J) |
| Chemical Name | 4-Methylcyclohex-1-ene-1-carboxylic acid |
| IUPAC Name | 4-methylcyclohexene-1-carboxylic acid |
| InChI | InChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h4,6H,2-3,5H2,1H3,(H,9,10) |
| InChI Key | GEFNPBHICGXNLA-UHFFFAOYSA-N |
| MDL Number | MFCD19228163 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| NSC Number | 622 |
| SMILES | O=C(C1=CCC(C)CC1)O |
| Synonyms | 4-methylcyclohex-1-ene-1-carboxylic acid,
5333-31-3,
4-methylcyclohexene-1-carboxylic acid,
4-METHYL-1-CYCLOHEXENE-1-CARBOXYLIC ACID,
NSC622,
AC1Q5QFY,
AC1L56OF,
SCHEMBL2874581,
CTK4J7626,
DTXSID10277069,
NSC-622,
GEFNPBHICGXNLA-UHFFFAOYSA-N,
AKOS006376244,
4-methyl-cyclohexene-1-carboxylic acid,
4-Methyl-1-cyclo-hexene-1-carboxylic acid,
AR-1G3599,
CID219389,
4-methylcyclohex-1-enecarboxylic acid,
58193-41-2,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.182g/mol |
| Monoisotopic Mass | 140.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H312-H332
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Packing Group
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\N
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number