| CAS Number | 59691-15-5 |
| Catalog Number | AG00VTZQ(AGN-PC-0ST8Z6) |
| Chemical Name | 3-Amino-4-propoxybenzoic acid |
| EC Number | 261-859-7 |
| IUPAC Name | 3-amino-4-propoxybenzoic acid |
| InChI | InChI=1S/C10H13NO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6H,2,5,11H2,1H3,(H,12,13) |
| InChI Key | UZOZIVWRRZWJMT-UHFFFAOYSA-N |
| MDL Number | MFCD09753811 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | NC=1C=C(C(=O)O)C=CC1OCCC |
| UNII | LXZ30GH0HY |
| Synonyms | 3-Amino-4-propoxybenzoic acid,
59691-15-5,
UNII-LXZ30GH0HY,
LXZ30GH0HY,
EINECS 261-859-7,
AC1L34TS,
AC1Q5U1E,
SCHEMBL3443299,
3-amino-4-n-propoxybenzoic acid,
UZOZIVWRRZWJMT-UHFFFAOYSA-N,
ZINC5139191,
AKOS000103866,
MCULE-9325245438,
NE28175,
RP25370,
NS-01917,
Z274783190,
AR-1F1823,
C10-H13-N-O3,
CID108807,
613-53-6,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number