| CAS Number | 1119-63-7 |
| Catalog Number | AG0038ZF(AGN-PC-0LPWYE) |
| Chemical Name | 9-Methyldecanoic acid |
| IUPAC Name | 9-methyldecanoic acid |
| InChI | InChI=1S/C11H22O2/c1-10(2)8-6-4-3-5-7-9-11(12)13/h10H,3-9H2,1-2H3,(H,12,13) |
| InChI Key | VSAJTRPXXNCHGB-UHFFFAOYSA-N |
| MDL Number | MFCD02258677 |
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.2912 |
| SMILES | CC(CCCCCCCC(=O)O)C |
| Synonyms | 9-methyldecanoic acid,
1119-63-7,
9-methyl-decanoic acid,
9-Methylcapric acid,
LMFA01020188,
AC1NSMEJ,
9-methyl-1-decanoic acid,
Decanoic acid, 9-methyl-,
SCHEMBL839420,
CTK0G1637,
DTXSID30415547,
ZINC2578904,
MFCD02258677,
AKOS006279689,
KS-0000005D,
Isoundecanoic acid,
Isoundecanoicacid,
CID5312289,
FA(11:0),
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| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.295g/mol |
| Monoisotopic Mass | 186.162g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number