| CAS Number | 1159824-79-9 |
| Catalog Number | AG000HBX(AGN-PC-0WCR7Z) |
| Chemical Name | 1-Acetyl-2-methylazepane-2-carboxylic acid |
| IUPAC Name | 1-acetyl-2-methylazepane-2-carboxylic acid |
| InChI | InChI=1S/C10H17NO3/c1-8(12)11-7-5-3-4-6-10(11,2)9(13)14/h3-7H2,1-2H3,(H,13,14) |
| InChI Key | GRBDSYXZRZQYFL-UHFFFAOYSA-N |
| MDL Number | MFCD10687112 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | CC(N1C(C(O)=O)(C)CCCCC1)=O |
| Synonyms | 1-Acetyl-2-methylazepane-2-carboxylic acid,
1159824-79-9,
DTXSID60674201,
FCH881290,
MFCD10687112,
AKOS006305525,
AS-35521,
1-Acetyl-2-methyl-2-azepanecarboxylic acid,
AB0073331,
AX8266453,
1-Acetyl-2-methyl-azepane-2-carboxylic acid,
A-2021,
1H-Azepine-2-carboxylic acid, 1-acetylhexahydro-2-methyl-,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number