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28685-36-1 | Phenol, 2-methoxy-3,5-dimethyl-, methylcarbamate (9CI)
CAS No: 28685-36-1 Catalog No: AG002W3D MDL No:
Product Description
Catalog Number:
AG002W3D
Chemical Name:
Phenol, 2-methoxy-3,5-dimethyl-, methylcarbamate (9CI)
CAS Number:
28685-36-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
(2-methoxy-3,5-dimethylphenyl) N-methylcarbamate
InChI:
InChI=1S/C11H15NO3/c1-7-5-8(2)10(14-4)9(6-7)15-11(13)12-3/h5-6H,1-4H3,(H,12,13)
InChI Key:
KSQUUGWISDGTGQ-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cc(C)cc(c1OC)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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