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18229-86-2 | 2-Pentyne, 5,5-diethoxy-
CAS No: 18229-86-2 Catalog No: AG0023LC MDL No:
Product Description
Catalog Number:
AG0023LC
Chemical Name:
2-Pentyne, 5,5-diethoxy-
CAS Number:
18229-86-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
5,5-diethoxypent-2-yne
InChI:
InChI=1S/C9H16O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,5-6,8H2,1-3H3
InChI Key:
UESQKNIAOHGCSU-UHFFFAOYSA-N
SMILES:
CCOC(CC#CC)OCC
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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