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116938-77-3 | 2-Butene, 1,4-bis(2-propynyloxy)-, (Z)- (9CI)
CAS No: 116938-77-3 Catalog No: AG000DEA MDL No:
Product Description
Catalog Number:
AG000DEA
Chemical Name:
2-Butene, 1,4-bis(2-propynyloxy)-, (Z)- (9CI)
CAS Number:
116938-77-3
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
1,4-bis(prop-2-ynoxy)but-2-ene
InChI:
InChI=1S/C10H12O2/c1-3-7-11-9-5-6-10-12-8-4-2/h1-2,5-6H,7-10H2
InChI Key:
JSDKXFJLIMCEKT-UHFFFAOYSA-N
SMILES:
C#CCOC/C=C\COCC#C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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