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20524-91-8 | 1,2-Heptadiene, 3-methoxy-
CAS No: 20524-91-8 Catalog No: AG0029YC MDL No:
Product Description
Catalog Number:
AG0029YC
Chemical Name:
1,2-Heptadiene, 3-methoxy-
CAS Number:
20524-91-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
3-methoxyhepta-1,2-diene
InChI:
InChI=1S/C8H14O/c1-4-6-7-8(5-2)9-3/h2,4,6-7H2,1,3H3
InChI Key:
DSJNGSNJYYTGJI-UHFFFAOYSA-N
SMILES:
CCCCC(=C=C)OC
Properties
Complexity:
110
Compound Is Canonicalized:
No
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:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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