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79012-27-4 | Benzene, [1-(2-methoxyethyl)-1,2-butadienyl]-
CAS No: 79012-27-4 Catalog No: AG0054HO MDL No:
Product Description
Catalog Number:
AG0054HO
Chemical Name:
Benzene, [1-(2-methoxyethyl)-1,2-butadienyl]-
CAS Number:
79012-27-4
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
1-methoxyhexa-3,4-dien-3-ylbenzene
InChI:
InChI=1S/C13H16O/c1-3-7-12(10-11-14-2)13-8-5-4-6-9-13/h3-6,8-9H,10-11H2,1-2H3
InChI Key:
SPSYVIVCIDXEJB-UHFFFAOYSA-N
SMILES:
COCCC(=C=CC)c1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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