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2768-41-4 | 2-Butyne, 1-methoxy-
CAS No: 2768-41-4 Catalog No: AG002UFC MDL No:MFCD28397714
Product Description
Catalog Number:
AG002UFC
Chemical Name:
2-Butyne, 1-methoxy-
CAS Number:
2768-41-4
Molecular Formula:
C5H8O
Molecular Weight:
84.1164
MDL Number:
MFCD28397714
IUPAC Name:
1-methoxybut-2-yne
InChI:
InChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3
InChI Key:
USIWFRXFQFZXGK-UHFFFAOYSA-N
SMILES:
COCC#CC
Properties
Complexity:
72.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.058g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.118g/mol
Monoisotopic Mass:
84.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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