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16221-47-9 | 2-Propanol, 1-butoxy-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS No: 16221-47-9 Catalog No: AG001SVM MDL No:
Product Description
Catalog Number:
AG001SVM
Chemical Name:
2-Propanol, 1-butoxy-3-(2-propyn-1-yloxy)-, 2-carbamate
CAS Number:
16221-47-9
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
(1-butoxy-3-prop-2-ynoxypropan-2-yl) carbamate
InChI:
InChI=1S/C11H19NO4/c1-3-5-7-15-9-10(16-11(12)13)8-14-6-4-2/h2,10H,3,5-9H2,1H3,(H2,12,13)
InChI Key:
QVHMOUMPKVLIQG-UHFFFAOYSA-N
SMILES:
CCCCOCC(OC(=O)N)COCC#C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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