200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 881181-63-1
881181-63-1 | ACETALDEHYDE, 2-[[3,5-BIS(METHOXYMETHYL)-1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-63-1 Catalog No: AG004IH4 MDL No:
Product Description
Catalog Number:
AG004IH4
Chemical Name:
ACETALDEHYDE, 2-[[3,5-BIS(METHOXYMETHYL)-1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-63-1
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
IUPAC Name:
2-[3,5-bis(methoxymethyl)-1-methyl-4-oxocyclohexa-2,5-dien-1-yl]oxyacetaldehyde
InChI:
InChI=1S/C13H18O5/c1-13(18-5-4-14)6-10(8-16-2)12(15)11(7-13)9-17-3/h4,6-7H,5,8-9H2,1-3H3
InChI Key:
XPHMWDGRVUDAAU-UHFFFAOYSA-N
SMILES:
COCC1=CC(C)(OCC=O)C=C(C1=O)COC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
254.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.