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68527-76-4 | Ethylvanillin propylene glycol acetal
CAS No: 68527-76-4 Catalog No: AG0036TN MDL No:MFCD00036667
Product Description
Catalog Number:
AG0036TN
Chemical Name:
Ethylvanillin propylene glycol acetal
CAS Number:
68527-76-4
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00036667
IUPAC Name:
2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
InChI:
InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
InChI Key:
IFUIILQWHYHIEK-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1O)C1OCC(O1)C
EC Number:
271-281-7
FEMA Number:
3838
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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