| CAS Number | 1089709-03-4 |
| Catalog Number | AG00HB9S(AGN-PC-0WG42X) |
| Chemical Name | 3-Hydroxycyclobutyl Pivalate |
| IUPAC Name | (3-hydroxycyclobutyl) 2,2-dimethylpropanoate |
| InChI | InChI=1S/C9H16O3/c1-9(2,3)8(11)12-7-4-6(10)5-7/h6-7,10H,4-5H2,1-3H3 |
| InChI Key | AOWHHZSWFRKEHL-UHFFFAOYSA-N |
| MDL Number | MFCD27955486 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | CC(C)(C)C(=O)OC1CC(O)C1 |
| Synonyms | 3-hydroxycyclobutyl pivalate,
1089709-03-4,
3-Hydroxylcyclobutyl pivalate,
cis-3-hydroxycyclobutyl 2,2-dimethylpropanoate,
1932016-87-9,
SCHEMBL1795982,
SCHEMBL17801335,
AOWHHZSWFRKEHL-UHFFFAOYSA-N,
MFCD27955486,
AKOS027253499,
ZINC117138174,
CIS-3-HYDROXYCYCLOBUTYL PIVALATE,
CS-0035905,
(3-hydroxycyclobutyl) 2,2-dimethylpropanoate,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number