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16222-54-1 | 2-Propanol, 1-(2,6-dimethoxyphenoxy)-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS No: 16222-54-1 Catalog No: AG001SWL MDL No:
Product Description
Catalog Number:
AG001SWL
Chemical Name:
2-Propanol, 1-(2,6-dimethoxyphenoxy)-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS Number:
16222-54-1
Molecular Formula:
C15H19NO6
Molecular Weight:
309.3145
IUPAC Name:
[1-(2,6-dimethoxyphenoxy)-3-prop-2-ynoxypropan-2-yl] carbamate
InChI:
InChI=1S/C15H19NO6/c1-4-8-20-9-11(22-15(16)17)10-21-14-12(18-2)6-5-7-13(14)19-3/h1,5-7,11H,8-10H2,2-3H3,(H2,16,17)
InChI Key:
UOPZXKJWRBRFRZ-UHFFFAOYSA-N
SMILES:
C#CCOCC(OC(=O)N)COc1c(OC)cccc1OC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.318g/mol
Monoisotopic Mass:
309.121g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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