| CAS Number | 1610028-25-5 |
| Catalog Number | AG00HYMU(AGN-PC-0WNGT0) |
| Chemical Name | 2-(3-Oxocyclobutyl)acetic acid |
| IUPAC Name | 2-(3-oxocyclobutyl)acetic acid |
| InChI | InChI=1S/C6H8O3/c7-5-1-4(2-5)3-6(8)9/h4H,1-3H2,(H,8,9) |
| InChI Key | KFBADNJELGIOTE-UHFFFAOYSA-N |
| MDL Number | MFCD28501618 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | O=C(O)CC1CC(C1)=O |
| Synonyms | 2-(3-oxocyclobutyl)acetic acid,
1610028-25-5,
SCHEMBL10248614,
KS-000005LK,
MFCD28501618,
ZINC98090847,
AKOS026715981,
AS-52324,
CS-0040780,
F2147-2737,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number