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20731-23-1 | 8-Nonenoic acid, methyl ester
CAS No: 20731-23-1 Catalog No: AG002IZF MDL No:
Product Description
Catalog Number:
AG002IZF
Chemical Name:
8-Nonenoic acid, methyl ester
CAS Number:
20731-23-1
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
methyl non-8-enoate
InChI:
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3H,1,4-9H2,2H3
InChI Key:
PWAJIGUTWKGVLP-UHFFFAOYSA-N
SMILES:
C=CCCCCCCC(=O)OC
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:
3.1
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