| CAS Number | 209551-66-6 |
| Catalog Number | AG00BLN1(AGN-PC-0WG3U4) |
| Chemical Name | 3-[(Methoxycarbonyl)amino]benzoic acid |
| IUPAC Name | 3-(methoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C9H9NO4/c1-14-9(13)10-7-4-2-3-6(5-7)8(11)12/h2-5H,1H3,(H,10,13)(H,11,12) |
| InChI Key | RSYCKKXDNGADCU-UHFFFAOYSA-N |
| MDL Number | MFCD00592125 |
| Molecular Formula | C9H9NO4 |
| Molecular Weight | 195.1721 |
| SMILES | COC(NC1=CC(C(O)=O)=CC=C1)=O |
| Synonyms | 209551-66-6,
3-[(methoxycarbonyl)amino]benzoic acid,
3-[(METHOXYCARBONYL)AMINO]-BENZOIC ACID,
3-((Methoxycarbonyl)amino)benzoic acid,
Benzoic acid, 3-[(methoxycarbonyl)amino]- (9CI),
AC1Q44D3,
SCHEMBL8475408,
CTK8H5605,
ZINC3195954,
MFCD00592125,
AKOS000204337,
MCULE-3595828787,
NE30338,
AM806060,
EN300-68494,
Z1259273183,
Benzoicacid,3-[ amino]-,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.174g/mol |
| Monoisotopic Mass | 195.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number