| CAS Number | 832681-49-9 |
| Catalog Number | AG004YY7(AGN-PC-0WB4XH) |
| Chemical Name | {4-[(Cyclopropylcarbonyl)amino]phenyl}acetic acid |
| IUPAC Name | 2-[4-(cyclopropanecarbonylamino)phenyl]acetic acid |
| InChI | InChI=1S/C12H13NO3/c14-11(15)7-8-1-5-10(6-2-8)13-12(16)9-3-4-9/h1-2,5-6,9H,3-4,7H2,(H,13,16)(H,14,15) |
| InChI Key | BVWJWGOECZCPCT-UHFFFAOYSA-N |
| MDL Number | MFCD06091613 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | C(=O)(NC1C=CC(=CC=1)CC(O)=O)C1CC1 |
| Synonyms | {4-[(cyclopropylcarbonyl)amino]phenyl}acetic acid,
832681-49-9,
2-(4-cyclopropaneamidophenyl)acetic acid,
2-(4-(Cyclopropanecarboxamido)phenyl)acetic acid,
AC1LO1OQ,
2-[4-(cyclopropanecarbonylamino)phenyl]acetic Acid,
CTK5F0537,
DTXSID70361392,
ZINC4833752,
MFCD06091613,
STK277064,
AKOS000138973,
MCULE-4433818172,
AJ-52435,
EN300-93004,
Y-2061,
SR-01000297551,
SR-01000297551-1,
Z224199496,
{4-[ amino]phenyl}aceticacid,
CID1255957,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number