| CAS Number | 4361-38-0 |
| Catalog Number | AG01A8RU(AGN-PC-0RRUIV) |
| Chemical Name | 3-Cyclohexylbutanoic acid |
| IUPAC Name | 3-cyclohexylbutanoic acid |
| InChI | InChI=1S/C10H18O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12) |
| InChI Key | CDPQZLVBRUMMRQ-UHFFFAOYSA-N |
| MDL Number | MFCD12065552 |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.2487 |
| SMILES | CC(C1CCCCC1)CC(O)=O |
| Synonyms | 3-cyclohexylbutanoic acid,
4361-38-0,
Cyclohexanepropanoic acid, beta-methyl-,
AC1MBN1M,
3-cyclohexyl-butyric acid,
AC1Q1QY1,
SCHEMBL1208925,
3-cyclohexylbutanoic acid, AldrichCPR,
AKOS009990717,
MCULE-5146752612,
NE31320,
EN300-62401,
A1-03488,
Z1259161695,
CID2753328,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.252g/mol |
| Monoisotopic Mass | 170.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number