| CAS Number | 1019546-29-2 |
| Catalog Number | AG00062E(AGN-PC-0WH7BQ) |
| Chemical Name | 6-(Cyclopropylmethoxy)nicotinic acid |
| IUPAC Name | 6-(cyclopropylmethoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H11NO3/c12-10(13)8-3-4-9(11-5-8)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13) |
| InChI Key | QKESUAZALAOHJO-UHFFFAOYSA-N |
| MDL Number | MFCD11136670 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | OC(C1=CN=C(OCC2CC2)C=C1)=O |
| Synonyms | 6-(Cyclopropylmethoxy)nicotinic acid,
1019546-29-2,
6-(cyclopropylmethoxy)pyridine-3-carboxylic acid,
3-Pyridinecarboxylic acid, 6-(cyclopropylmethoxy)-,
SCHEMBL795937,
AC1Q73Z1,
QKESUAZALAOHJO-UHFFFAOYSA-N,
6-cyclopropylmethoxy-nicotinic acid,
KS-00003SG2,
ZINC19870757,
AKOS000220999,
MCULE-4554132114,
NE41793,
TS-00271,
FT-0728654,
EN300-66310,
6-(cyclopropylmethoxy)-3-Pyridinecarboxylic acid,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number