| CAS Number | 83249-04-1 |
| Catalog Number | AG00GK2C(AGN-PC-0OISSI) |
| Chemical Name | 3-Phenylbicyclo[1.1.1]pentane-1-carboxylic acid |
| IUPAC Name | 3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid |
| InChI | InChI=1S/C12H12O2/c13-10(14)12-6-11(7-12,8-12)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14) |
| InChI Key | MVSLMXUOSHYKID-UHFFFAOYSA-N |
| MDL Number | MFCD00101889 |
| Molecular Formula | C12H12O2 |
| Molecular Weight | 188.2225 |
| SMILES | C(=O)(O)C12CC(C1)(C2)c1ccccc1 |
| Synonyms | 3-phenylbicyclo[1.1.1]pentane-1-carboxylic acid,
83249-04-1,
SCHEMBL17467926,
MFCD00101889,
ZINC96024427,
AKOS024255990,
GS-8019,
NE54435,
SB22141,
KS-000006C3,
CS-0054570,
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-phenyl-,
Z2213893306,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.226g/mol |
| Monoisotopic Mass | 188.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number