| CAS Number | 81863-34-5 |
| Catalog Number | AG005H57(AGN-PC-00K9I4) |
| Chemical Name | Methyl (3-(hydroxymethyl)phenyl)carbamate |
| IUPAC Name | methyl N-[3-(hydroxymethyl)phenyl]carbamate |
| InChI | InChI=1S/C9H11NO3/c1-13-9(12)10-8-4-2-3-7(5-8)6-11/h2-5,11H,6H2,1H3,(H,10,12) |
| InChI Key | GKANKPAWPPLQOK-UHFFFAOYSA-N |
| MDL Number | MFCD12777042 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(NC1=CC(CO)=CC=C1)=O |
| Synonyms | 81863-34-5,
methyl (3-(hydroxymethyl)phenyl)carbamate,
methyl N-[3-(hydroxymethyl)phenyl]carbamate,
Carbamic acid, [3-(hydroxymethyl)phenyl]-, methyl ester,
Methyl [3-(hydroxymethyl)phenyl]carbamate,
SCHEMBL17150491,
CTK3E3793,
DTXSID50514046,
ZINC38003745,
AKOS010226747,
Z1542815746,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number