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14669-17-1

14669-17-1 | 2-Propanol, 1-(hexyloxy)-3-(2-propyn-1-yloxy)-, 2-carbamate

CAS No: 14669-17-1 Catalog No: AG001E8G MDL No:

Product Description

Catalog Number:
AG001E8G
Chemical Name:
2-Propanol, 1-(hexyloxy)-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS Number:
14669-17-1
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
(1-hexoxy-3-prop-2-ynoxypropan-2-yl) carbamate
InChI:
InChI=1S/C13H23NO4/c1-3-5-6-7-9-17-11-12(18-13(14)15)10-16-8-4-2/h2,12H,3,5-11H2,1H3,(H2,14,15)
InChI Key:
XEAFYZGGCNRVDC-UHFFFAOYSA-N
SMILES:
CCCCCCOCC(OC(=O)N)COCC#C

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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