200,000+ products from a single source!
sales@angenechem.com
89457-27-2 | Butanoic acid, 3-methyl-, 3-hydroxybutyl ester
CAS No: 89457-27-2 Catalog No: AG0042KE MDL No:
Product Description
Catalog Number:
AG0042KE
Chemical Name:
Butanoic acid, 3-methyl-, 3-hydroxybutyl ester
CAS Number:
89457-27-2
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
3-hydroxybutyl 3-methylbutanoate
InChI:
InChI=1S/C9H18O3/c1-7(2)6-9(11)12-5-4-8(3)10/h7-8,10H,4-6H2,1-3H3
InChI Key:
BLNXINSLTYZFFK-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)CC(C)C)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.