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13286-13-0 | 3-Pentyn-2-one, 5-methoxy-
CAS No: 13286-13-0 Catalog No: AG0011A7 MDL No:
Product Description
Catalog Number:
AG0011A7
Chemical Name:
3-Pentyn-2-one, 5-methoxy-
CAS Number:
13286-13-0
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
5-methoxypent-3-yn-2-one
InChI:
InChI=1S/C6H8O2/c1-6(7)4-3-5-8-2/h5H2,1-2H3
InChI Key:
OLVDTZHGJBXKBW-UHFFFAOYSA-N
SMILES:
COCC#CC(=O)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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