200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89176-45-4
89176-45-4 | 5-Octenoic acid, 8-(2-furanyl)-, methyl ester
CAS No: 89176-45-4 Catalog No: AG003WEB MDL No:
Product Description
Catalog Number:
AG003WEB
Chemical Name:
5-Octenoic acid, 8-(2-furanyl)-, methyl ester
CAS Number:
89176-45-4
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
methyl 8-(furan-2-yl)oct-5-enoate
InChI:
InChI=1S/C13H18O3/c1-15-13(14)10-6-4-2-3-5-8-12-9-7-11-16-12/h2-3,7,9,11H,4-6,8,10H2,1H3
InChI Key:
DKTPEUGDPBKJME-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC=CCCc1ccco1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.