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126239-46-1 | 2-Propenal, 3-(hydroxy-1,3-benzodioxol-5-yl)-2-methyl- (9CI)
CAS No: 126239-46-1 Catalog No: AG000SE8 MDL No:
Product Description
Catalog Number:
AG000SE8
Chemical Name:
2-Propenal, 3-(hydroxy-1,3-benzodioxol-5-yl)-2-methyl- (9CI)
CAS Number:
126239-46-1
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
3-(2-hydroxy-1,3-benzodioxol-5-yl)-2-methylprop-2-enal
InChI:
InChI=1S/C11H10O4/c1-7(6-12)4-8-2-3-9-10(5-8)15-11(13)14-9/h2-6,11,13H,1H3
InChI Key:
INMZTLMENQIVQW-UHFFFAOYSA-N
SMILES:
O=CC(=Cc1ccc2c(c1)OC(O2)O)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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