| CAS Number | 3675-31-8 |
| Catalog Number | AG01AFR2(AGN-PC-007OEG) |
| Chemical Name | 2-(Cyclohex-2-en-1-yl)acetic acid |
| IUPAC Name | 2-cyclohex-2-en-1-ylacetic acid |
| InChI | InChI=1S/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H,9,10) |
| InChI Key | ZCGVZRUPMCMONF-UHFFFAOYSA-N |
| MDL Number | MFCD09924887 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| NSC Number | 18900 |
| SMILES | C1(C=CCCC1)CC(=O)O |
| Synonyms | 2-(cyclohex-2-en-1-yl)acetic acid,
3675-31-8,
cyclohex-2-en-1-ylacetic acid,
(2-Cyclohexenyl)acetic Acid,
2-cyclohex-2-en-1-ylacetic acid,
NSC18900,
trihydrobenzeneacetic acid,
AC1L5FFG,
AC1Q5VGX,
2-Cyclohexene-1-aceticacid,
SCHEMBL6077803,
CTK1C6374,
DTXSID90280839,
ZCGVZRUPMCMONF-UHFFFAOYSA-N,
NSC-18900,
AKOS006313147,
NE21718,
Z1741794221,
AR-1I2900,
CID227350,
41416-60-8,
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| Complexity | 149 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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