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88382-69-8 | 2,4-Hexadiene, 1-methoxy-4-methyl-, (E,E)-
CAS No: 88382-69-8 Catalog No: AG004ILV MDL No:
Product Description
Catalog Number:
AG004ILV
Chemical Name:
2,4-Hexadiene, 1-methoxy-4-methyl-, (E,E)-
CAS Number:
88382-69-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
1-methoxy-4-methylhexa-2,4-diene
InChI:
InChI=1S/C8H14O/c1-4-8(2)6-5-7-9-3/h4-6H,7H2,1-3H3
InChI Key:
XKSWBVKJHUMOSE-UHFFFAOYSA-N
SMILES:
COC/C=C/C(=C/C)/C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.2
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