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127382-34-7 | 2,4-Hexadiene, 1-(2-propyn-1-yloxy)-, (2E,4E)-
CAS No: 127382-34-7 Catalog No: AG000X0D MDL No:
Product Description
Catalog Number:
AG000X0D
Chemical Name:
2,4-Hexadiene, 1-(2-propyn-1-yloxy)-, (2E,4E)-
CAS Number:
127382-34-7
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
IUPAC Name:
1-prop-2-ynoxyhexa-2,4-diene
InChI:
InChI=1S/C9H12O/c1-3-5-6-7-9-10-8-4-2/h2-3,5-7H,8-9H2,1H3
InChI Key:
HOVFYSJIVAFHRA-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/COCC#C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.7
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