| CAS Number | 117550-23-9 |
| Catalog Number | AG00HDZV(AGN-PC-0016UQ) |
| Chemical Name | Methyl N-[2-(Hydroxymethyl)-3-Methylphenyl]Carbamate |
| IUPAC Name | methyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate |
| InChI | InChI=1S/C10H13NO3/c1-7-4-3-5-9(8(7)6-12)11-10(13)14-2/h3-5,12H,6H2,1-2H3,(H,11,13) |
| InChI Key | ZALYNNPXLWTXFF-UHFFFAOYSA-N |
| MDL Number | MFCD24565698 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | COC(=O)Nc1cccc(C)c1CO |
| Synonyms | 117550-23-9,
Methyl (2-(hydroxymethyl)-3-methylphenyl)carbamate,
METHYL N-[2-(HYDROXYMETHYL)-3-METHYLPHENYL]CARBAMATE,
SCHEMBL9694548,
ZALYNNPXLWTXFF-UHFFFAOYSA-N,
MFCD24565698,
ZINC34283823,
2-methoxycarbonylamino-6-methylbenzyl alcohol,
2-methyl-6-methoxycarbonylaminobenzyl alcohol,
CS-0035725,
Carbamic acid, [2-(hydroxymethyl)-3-methylphenyl]-, methyl ester,
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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 | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^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