200,000+ products from a single source!
sales@angenechem.com
115996-47-9 | 1,6-Dioxaspiro[2.5]octane-2-carboxylic acid, 5,5-dimethyl-, methyl ester
CAS No: 115996-47-9 Catalog No: AG000HF0 MDL No:MFCD21321608
Product Description
Catalog Number:
AG000HF0
Chemical Name:
1,6-Dioxaspiro[2.5]octane-2-carboxylic acid, 5,5-dimethyl-, methyl ester
CAS Number:
115996-47-9
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
MDL Number:
MFCD21321608
IUPAC Name:
methyl 5,5-dimethyl-1,6-dioxaspiro[2.5]octane-2-carboxylate
InChI:
InChI=1S/C10H16O4/c1-9(2)6-10(4-5-13-9)7(14-10)8(11)12-3/h7H,4-6H2,1-3H3
InChI Key:
WJSLVMRGFCZPDB-UHFFFAOYSA-N
SMILES:
COC(=O)C1OC21CCOC(C2)(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.