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88241-52-5 | Benzene, [1-(3-methoxypropyl)-1,2-butadienyl]-
CAS No: 88241-52-5 Catalog No: AG004AN4 MDL No:
Product Description
Catalog Number:
AG004AN4
Chemical Name:
Benzene, [1-(3-methoxypropyl)-1,2-butadienyl]-
CAS Number:
88241-52-5
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
7-methoxyhepta-2,3-dien-4-ylbenzene
InChI:
InChI=1S/C14H18O/c1-3-8-13(11-7-12-15-2)14-9-5-4-6-10-14/h3-6,9-10H,7,11-12H2,1-2H3
InChI Key:
QZVKCFNXCMSZEG-UHFFFAOYSA-N
SMILES:
COCCCC(=C=CC)c1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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