| CAS Number | 79172-43-3 |
| Catalog Number | AG008MQ2(AGN-PC-0NK5DD) |
| Chemical Name | 1-Benzoylcyclopropanecarboxylic acid |
| IUPAC Name | 1-benzoylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H10O3/c12-9(8-4-2-1-3-5-8)11(6-7-11)10(13)14/h1-5H,6-7H2,(H,13,14) |
| InChI Key | RPRZRJABAKWWSK-UHFFFAOYSA-N |
| MDL Number | MFCD16622244 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | OC(C1(C(C2=CC=CC=C2)=O)CC1)=O |
| Synonyms | 1-Benzoylcyclopropanecarboxylic acid,
79172-43-3,
1-benzoylcyclopropane-1-carboxylic acid,
Cyclopropanecarboxylic acid, 1-benzoyl-,
CTK2G4446,
KS-00003TDB,
DTXSID90509037,
ZINC67801567,
AKOS022971664,
NE47305,
TS-02678,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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