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20731-16-2 | 5-Nonynoic acid, methylester
CAS No: 20731-16-2 Catalog No: AG002IZI MDL No:
Product Description
Catalog Number:
AG002IZI
Chemical Name:
5-Nonynoic acid, methylester
CAS Number:
20731-16-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
methyl non-5-ynoate
InChI:
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-4,7-9H2,1-2H3
InChI Key:
URYIOHGVMCOLMH-UHFFFAOYSA-N
SMILES:
CCCC#CCCCC(=O)OC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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