| CAS Number | 286442-86-2 |
| Catalog Number | AG002VY9(AGN-PC-0WCL1I) |
| Chemical Name | 1-Methyl-3-methylidenecyclobutane-1-carboxylic acid |
| IUPAC Name | 1-methyl-3-methylidenecyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C7H10O2/c1-5-3-7(2,4-5)6(8)9/h1,3-4H2,2H3,(H,8,9) |
| InChI Key | IDHHSXMRNXRQSW-UHFFFAOYSA-N |
| MDL Number | MFCD19231380 |
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.1531 |
| SMILES | O=C(C1(C)CC(C1)=C)O |
| Synonyms | 286442-86-2,
1-METHYL-3-METHYLIDENECYCLOBUTANE-1-CARBOXYLIC ACID,
1-METHYL-3-METHYLENECYCLOBUTANECARBOXYLIC ACID,
Cyclobutanecarboxylic acid, 1-methyl-3-methylene-,
SCHEMBL1744112,
DTXSID60609093,
IDHHSXMRNXRQSW-UHFFFAOYSA-N,
KS-000007RY,
MFCD19231380,
ZINC95742819,
AKOS006383976,
PB34988,
AS-42219,
CS-0052448,
Q-3567,
1-methyl-3-methylidenecyclobutanecarboxylic acid,
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| Complexity | 162 |
| 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 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number