200,000+ products from a single source!
sales@angenechem.com
100386-17-2 | Propanoic acid, 2-hydroxy-2-methyl-, octyl ester
CAS No: 100386-17-2 Catalog No: AG0001V0 MDL No:
Product Description
Catalog Number:
AG0001V0
Chemical Name:
Propanoic acid, 2-hydroxy-2-methyl-, octyl ester
CAS Number:
100386-17-2
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
IUPAC Name:
octyl 2-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C12H24O3/c1-4-5-6-7-8-9-10-15-11(13)12(2,3)14/h14H,4-10H2,1-3H3
InChI Key:
MRMFDCMEHASSBE-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)C(O)(C)C
NSC Number:
68008
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.