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20635-10-3 | 2-Pentyne, 1-ethoxy-
CAS No: 20635-10-3 Catalog No: AG002IG6 MDL No:
Product Description
Catalog Number:
AG002IG6
Chemical Name:
2-Pentyne, 1-ethoxy-
CAS Number:
20635-10-3
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
1-ethoxypent-2-yne
InChI:
InChI=1S/C7H12O/c1-3-5-6-7-8-4-2/h3-4,7H2,1-2H3
InChI Key:
CZJRAKLNHAXUMW-UHFFFAOYSA-N
SMILES:
CCOCC#CCC
Properties
Complexity:
93.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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