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Home > Other Building Blocks > 89216-41-1
89216-41-1 | 3-Heptene, 1-methoxy-2-methyl-
CAS No: 89216-41-1 Catalog No: AG0044S3 MDL No:
Product Description
Catalog Number:
AG0044S3
Chemical Name:
3-Heptene, 1-methoxy-2-methyl-
CAS Number:
89216-41-1
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
IUPAC Name:
1-methoxy-2-methylhept-3-ene
InChI:
InChI=1S/C9H18O/c1-4-5-6-7-9(2)8-10-3/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
LAKPLOIYTSHYHJ-UHFFFAOYSA-N
SMILES:
CCCC=CC(COC)C
Properties
Complexity:
86.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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