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5048-35-1 | ACETIC ACID 7-OCTEN-1-YL ESTER
CAS No: 5048-35-1 Catalog No: AG003NMR MDL No:MFCD01861278
Product Description
Catalog Number:
AG003NMR
Chemical Name:
ACETIC ACID 7-OCTEN-1-YL ESTER
CAS Number:
5048-35-1
MDL Number:
MFCD01861278
IUPAC Name:
oct-7-enyl acetate
InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3H,1,4-9H2,2H3
InChI Key:
DBRVFNFZYZFKRC-UHFFFAOYSA-N
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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