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82873-01-6 | Propanoic acid, 3-(1,3-benzodioxol-5-yloxy)-, ethyl ester
CAS No: 82873-01-6 Catalog No: AG0055L4 MDL No:
Product Description
Catalog Number:
AG0055L4
Chemical Name:
Propanoic acid, 3-(1,3-benzodioxol-5-yloxy)-, ethyl ester
CAS Number:
82873-01-6
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
ethyl 3-(1,3-benzodioxol-5-yloxy)propanoate
InChI:
InChI=1S/C12H14O5/c1-2-14-12(13)5-6-15-9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,2,5-6,8H2,1H3
InChI Key:
KGRDTOGOKXQCEO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCOc1ccc2c(c1)OCO2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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