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18857-03-9 | 2-Butyn-1-ol, 4-methoxy-
CAS No: 18857-03-9 Catalog No: AG002GZV MDL No:
Product Description
Catalog Number:
AG002GZV
Chemical Name:
2-Butyn-1-ol, 4-methoxy-
CAS Number:
18857-03-9
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
4-methoxybut-2-yn-1-ol
InChI:
InChI=1S/C5H8O2/c1-7-5-3-2-4-6/h6H,4-5H2,1H3
InChI Key:
HRWVUBRSPSCZAZ-UHFFFAOYSA-N
SMILES:
COCC#CCO
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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