200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88681-91-8
88681-91-8 | 5-Nonenoic acid, 3-acetyl-, methyl ester
CAS No: 88681-91-8 Catalog No: AG0047WG MDL No:
Product Description
Catalog Number:
AG0047WG
Chemical Name:
5-Nonenoic acid, 3-acetyl-, methyl ester
CAS Number:
88681-91-8
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
methyl 3-acetylnon-5-enoate
InChI:
InChI=1S/C12H20O3/c1-4-5-6-7-8-11(10(2)13)9-12(14)15-3/h6-7,11H,4-5,8-9H2,1-3H3
InChI Key:
XVDQWPSSMJXLPF-UHFFFAOYSA-N
SMILES:
CCCC=CCC(C(=O)C)CC(=O)OC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.