200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 234081-94-8
234081-94-8 | Octanedioic acid, 1-(1,1-dimethylethyl) ester
CAS No: 234081-94-8 Catalog No: AG002N4D MDL No:MFCD28505597
Product Description
Catalog Number:
AG002N4D
Chemical Name:
Octanedioic acid, 1-(1,1-dimethylethyl) ester
CAS Number:
234081-94-8
Molecular Formula:
C12H21O4-
Molecular Weight:
229.2927
MDL Number:
MFCD28505597
IUPAC Name:
8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
InChI:
InChI=1S/C12H22O4/c1-12(2,3)16-11(15)9-7-5-4-6-8-10(13)14/h4-9H2,1-3H3,(H,13,14)
InChI Key:
BONUHUQZCZQQEN-UHFFFAOYSA-N
SMILES:
[O-]C(=O)CCCCCCC(=O)OC(C)(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.304g/mol
Monoisotopic Mass:
230.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.