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100850-98-4 | Benzene, [1-(1-butoxyethoxy)-2-(2-propyn-1-yloxy)ethyl]-
CAS No: 100850-98-4 Catalog No: AG00030J MDL No:
Product Description
Catalog Number:
AG00030J
Chemical Name:
Benzene, [1-(1-butoxyethoxy)-2-(2-propyn-1-yloxy)ethyl]-
CAS Number:
100850-98-4
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
[1-(1-butoxyethoxy)-2-prop-2-ynoxyethyl]benzene
InChI:
InChI=1S/C17H24O3/c1-4-6-13-19-15(3)20-17(14-18-12-5-2)16-10-8-7-9-11-16/h2,7-11,15,17H,4,6,12-14H2,1,3H3
InChI Key:
FABUNJOJQVKVBK-UHFFFAOYSA-N
SMILES:
CCCCOC(OC(c1ccccc1)COCC#C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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