| CAS Number | 202737-42-6 |
| Catalog Number | AG00CFM6(AGN-PC-0215PE) |
| Chemical Name | 1-(4-nitrophenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(4-nitrophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H11NO4/c13-10(14)11(6-1-7-11)8-2-4-9(5-3-8)12(15)16/h2-5H,1,6-7H2,(H,13,14) |
| InChI Key | LCFMHXAUNXCFAH-UHFFFAOYSA-N |
| MDL Number | MFCD11037075 |
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.2093 |
| SMILES | O=C(C1(C2=CC=C([N+]([O-])=O)C=C2)CCC1)O |
| Synonyms | 1-(4-Nitrophenyl)cyclobutanecarboxylic acid,
202737-42-6,
1-(4-nitro-phenyl)-cyclobutanecarboxylic acid,
1-(4-Nitrophenyl)cyclobutane-1-carboxylic acid,
SCHEMBL3224174,
DTXSID60596111,
LCFMHXAUNXCFAH-UHFFFAOYSA-N,
6835AD,
MFCD11037075,
ZINC67801565,
AKOS027295268,
ACM202737426,
SY211477,
MFCD11037075 (95%),
Z2738925506,
C11H11NO4,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.212g/mol |
| Monoisotopic Mass | 221.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number