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113737-41-0 | 2,6-Octadiene, 3,7-dimethyl-2-(2-propynyloxy)-, (E)- (9CI)
CAS No: 113737-41-0 Catalog No: AG0009HP MDL No:
Product Description
Catalog Number:
AG0009HP
Chemical Name:
2,6-Octadiene, 3,7-dimethyl-2-(2-propynyloxy)-, (E)- (9CI)
CAS Number:
113737-41-0
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
3,7-dimethyl-2-prop-2-ynoxyocta-2,6-diene
InChI:
InChI=1S/C13H20O/c1-6-10-14-13(5)12(4)9-7-8-11(2)3/h1,8H,7,9-10H2,2-5H3
InChI Key:
YHQKZMGXKFNXOD-UHFFFAOYSA-N
SMILES:
C#CCO/C(=C(/CCC=C(C)C)\C)/C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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