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75889-50-8 | 1,3-Benzodioxole-5-carboxaldehyde, 6-ethoxy-
CAS No: 75889-50-8 Catalog No: AG008P1P MDL No:MFCD07186330
Product Description
Catalog Number:
AG008P1P
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 6-ethoxy-
CAS Number:
75889-50-8
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD07186330
IUPAC Name:
6-ethoxy-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C10H10O4/c1-2-12-8-4-10-9(13-6-14-10)3-7(8)5-11/h3-5H,2,6H2,1H3
InChI Key:
VQCXREJZJFLYAV-UHFFFAOYSA-N
SMILES:
CCOc1cc2OCOc2cc1C=O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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