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820-01-9 | 1-Butyne, 3-(1-butoxyethoxy)-
CAS No: 820-01-9 Catalog No: AG005EPL MDL No:
Product Description
Catalog Number:
AG005EPL
Chemical Name:
1-Butyne, 3-(1-butoxyethoxy)-
CAS Number:
820-01-9
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
1-(1-but-3-yn-2-yloxyethoxy)butane
InChI:
InChI=1S/C10H18O2/c1-5-7-8-11-10(4)12-9(3)6-2/h2,9-10H,5,7-8H2,1,3-4H3
InChI Key:
ZWGDCSLTAHURDP-UHFFFAOYSA-N
SMILES:
CC(OC(C#C)C)OCCCC
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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