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114745-75-4 | 3-Heptene, 1-methoxy-
CAS No: 114745-75-4 Catalog No: AG000F5V MDL No:
Product Description
Catalog Number:
AG000F5V
Chemical Name:
3-Heptene, 1-methoxy-
CAS Number:
114745-75-4
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
1-methoxyhept-3-ene
InChI:
InChI=1S/C8H16O/c1-3-4-5-6-7-8-9-2/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
OCFSUZJEFVENME-UHFFFAOYSA-N
SMILES:
CCCC=CCCOC
Properties
Complexity:
67
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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