Name: Name:1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-
Brand: Angene
SKU: AG007VKA
Rating: 90 (10 reviews)

1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-

CAS No.:

16837-14-2

Catalog Number:

AG007VKA

Molecular Formula:

C8H14O4

Molecular Weight:

174.1944

Catalog Number:

AG007VKA

Chemical Name:

1,3-Dioxane-5-carboxylicacid, 2,2,5-trimethyl-

CAS Number:

16837-14-2

Molecular Formula:

C8H14O4

Molecular Weight:

174.1944

MDL Number:

MFCD08272187

IUPAC Name:

2,2,5-trimethyl-1,3-dioxane-5-carboxylic acid

InChI:

InChI=1S/C8H14O4/c1-7(2)11-4-8(3,5-12-7)6(9)10/h4-5H2,1-3H3,(H,9,10)

InChI Key:

WZEWDEAIHCUMKY-UHFFFAOYSA-N

SMILES:

OC(=O)C1(C)COC(OC1)(C)C

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.196g/mol

Monoisotopic Mass:

174.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3