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16356-02-8 | 2-Butyne, 1,4-dimethoxy-
CAS No: 16356-02-8 Catalog No: AG001U7Y MDL No:MFCD00048069
Product Description
Catalog Number:
AG001U7Y
Chemical Name:
2-Butyne, 1,4-dimethoxy-
CAS Number:
16356-02-8
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00048069
IUPAC Name:
1,4-dimethoxybut-2-yne
InChI:
InChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h5-6H2,1-2H3
InChI Key:
YFUQYYGBJJCAPR-UHFFFAOYSA-N
SMILES:
COCC#CCOC
Properties
Complexity:
85.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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