200,000+ products from a single source!
sales@angenechem.com
178461-69-3 | 2-Furancarboxylic acid, tetrahydro-, butyl ester, (2S)-
CAS No: 178461-69-3 Catalog No: AG002631 MDL No:
Product Description
Catalog Number:
AG002631
Chemical Name:
2-Furancarboxylic acid, tetrahydro-, butyl ester, (2S)-
CAS Number:
178461-69-3
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
butyl (2S)-oxolane-2-carboxylate
InChI:
InChI=1S/C9H16O3/c1-2-3-6-12-9(10)8-5-4-7-11-8/h8H,2-7H2,1H3/t8-/m0/s1
InChI Key:
HISPCZJMPXQANI-QMMMGPOBSA-N
SMILES:
CCCCOC(=O)[C@@H]1CCCO1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.