| CAS Number | 2055839-77-3 |
| Catalog Number | AG002A68(AGN-PC-0WNH9B) |
| Chemical Name | 1-(3-Hydroxybicyclo[1.1.1]pentan-1-yl)ethan-1-one |
| IUPAC Name | 1-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)ethanone |
| InChI | InChI=1S/C7H10O2/c1-5(8)6-2-7(9,3-6)4-6/h9H,2-4H2,1H3 |
| InChI Key | QUIIAKFWEGCIQS-UHFFFAOYSA-N |
| MDL Number | MFCD30530452 |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| SMILES | CC(C1(C2)CC2(O)C1)=O |
| Synonyms | 2055839-77-3,
1-{3-hydroxybicyclo[1.1.1]pentan-1-yl}ethan-1-one,
1-{3-Hydroxybicyclo[1.1.1]pentan-1-ylethan-1-one,
1-(3-Hydroxybicyclo[1.1.1]pentan-1-yl)ethanone,
1-(3-Hydroxybicyclo[1.1.1]pentan-1-yl)ethan-1-one,
MFCD30530452,
AKOS030627927,
ZINC575631075,
KS-000008U0,
AS-53439,
CS-0052652,
Ethanone, 1-(3-hydroxybicyclo[1.1.1]pent-1-yl)-,
na,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.155g/mol |
| Monoisotopic Mass | 126.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number