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100698-07-5 | 2,4-Heptadiene, 6-methoxy-, (E,E)- (9CI)
CAS No: 100698-07-5 Catalog No: AG0002N9 MDL No:
Product Description
Catalog Number:
AG0002N9
Chemical Name:
2,4-Heptadiene, 6-methoxy-, (E,E)- (9CI)
CAS Number:
100698-07-5
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
6-methoxyhepta-2,4-diene
InChI:
InChI=1S/C8H14O/c1-4-5-6-7-8(2)9-3/h4-8H,1-3H3
InChI Key:
AZTHOSPZOAGEHT-UHFFFAOYSA-N
SMILES:
C/C=C/C=C/C(OC)C
Properties
Complexity:
103
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:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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