200,000+ products from a single source!
sales@angenechem.com
919988-15-1 | 1,3-Dioxane-5-carboxylic acid, 2,2,5-trimethyl-, 2-propyn-1-yl ester
CAS No: 919988-15-1 Catalog No: AG006GC4 MDL No:
Product Description
Catalog Number:
AG006GC4
Chemical Name:
1,3-Dioxane-5-carboxylic acid, 2,2,5-trimethyl-, 2-propyn-1-yl ester
CAS Number:
919988-15-1
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
prop-2-ynyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
InChI:
InChI=1S/C11H16O4/c1-5-6-13-9(12)11(4)7-14-10(2,3)15-8-11/h1H,6-8H2,2-4H3
InChI Key:
BJZJWAJSOZCNEU-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)C1(C)COC(OC1)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.