| CAS Number | 1087784-74-4 |
| Catalog Number | AG019NAK(AGN-PC-0WO3Q9) |
| Chemical Name | 4-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid |
| IUPAC Name | 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoic acid |
| InChI | InChI=1S/C11H12N2O2/c1-8-6-7-13(12-8)10-4-2-9(3-5-10)11(14)15/h2-5H,6-7H2,1H3,(H,14,15) |
| InChI Key | ZNSOPPVIOVDORC-UHFFFAOYSA-N |
| MDL Number | MFCD11505520 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CC1CCN(C2=CC=C(C(O)=O)C=C2)N=1 |
| Synonyms | 4-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid,
1087784-74-4,
AC1Q2PTK,
CTK7I7978,
ZINC32627728,
AKOS008121697,
MCULE-1214449658,
NE19512,
EN300-39821,
Z406680118,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number