| CAS Number | 2393-28-4 |
| Catalog Number | AG01A70C(AGN-PC-000N17) |
| Chemical Name | 2-(4-Carbamoylphenyl)acetic acid |
| IUPAC Name | 2-(4-carbamoylphenyl)acetic acid |
| InChI | InChI=1S/C9H9NO3/c10-9(13)7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12) |
| InChI Key | ZGWAEKSJTSFZSS-UHFFFAOYSA-N |
| MDL Number | MFCD20639603 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | O=C(O)CC1=CC=C(C(N)=O)C=C1 |
| Synonyms | 2-(4-carbamoylphenyl)acetic acid,
2393-28-4,
(4-carbamoylphenyl)acetic acid,
[4-(aminocarbonyl)phenyl]acetic acid,
SCHEMBL4022608,
ZGWAEKSJTSFZSS-UHFFFAOYSA-N,
4-(Aminocarbonyl)benzeneacetic acid,
ZINC34242879,
AKOS024058802,
MCULE-1968975994,
NE26729,
F2167-4979,
Z1815149176,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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