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23504-07-6 | Phenol, 2-(methyl-2-propyn-1-ylamino)-, 1-(N-methylcarbamate)
CAS No: 23504-07-6 Catalog No: AG002NF9 MDL No:
Product Description
Catalog Number:
AG002NF9
Chemical Name:
Phenol, 2-(methyl-2-propyn-1-ylamino)-, 1-(N-methylcarbamate)
CAS Number:
23504-07-6
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
[2-[methyl(prop-2-ynyl)amino]phenyl] N-methylcarbamate
InChI:
InChI=1S/C12H14N2O2/c1-4-9-14(3)10-7-5-6-8-11(10)16-12(15)13-2/h1,5-8H,9H2,2-3H3,(H,13,15)
InChI Key:
GJYRCEALCUOYBO-UHFFFAOYSA-N
SMILES:
CNC(=O)O.C#CCN(c1ccccc1O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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