| CAS Number | 568544-09-2 |
| Catalog Number | AG019GGY |
| Chemical Name | 2-[(3,4-Diethoxyphenyl)formamido]acetic acid |
| IUPAC Name | 2-[(3,4-diethoxybenzoyl)amino]acetic acid |
| InChI | InChI=1S/C13H17NO5/c1-3-18-10-6-5-9(7-11(10)19-4-2)13(17)14-8-12(15)16/h5-7H,3-4,8H2,1-2H3,(H,14,17)(H,15,16) |
| InChI Key | BLZLYGKTIGLOOQ-UHFFFAOYSA-N |
| MDL Number | MFCD03965302 |
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.2778 |
| SMILES | CCOC1=C(OCC)C=C(C(NCC(O)=O)=O)C=C1 |
| Synonyms | 2-[(3,4-diethoxyphenyl)formamido]acetic acid,
(3,4-Diethoxy-benzoylamino)-acetic acid,
568544-09-2,
AC1M5VEG,
2-[(3,4-diethoxybenzoyl)amino]acetic Acid,
AC1Q35XC,
CTK6G1132,
ZINC82068155,
AKOS000114606,
MCULE-9988970040,
NE33447,
NCGC00329264-01,
EN300-00175,
AB01322579-02,
SR-01000039653,
SR-01000039653-1,
Z56887760,
CID2386145,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.281g/mol |
| Monoisotopic Mass | 267.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number