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1173247-27-2 | 3,4-(Methylenedioxy)phenylglyoxal hydrate
CAS No: 1173247-27-2 Catalog No: AG01FO6X MDL No:
Product Description
Catalog Number:
AG01FO6X
Chemical Name:
3,4-(Methylenedioxy)phenylglyoxal hydrate
CAS Number:
1173247-27-2
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C9H6O4.H2O/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8;/h1-4H,5H2;1H2
InChI Key:
ZETZLJWJCYEROP-UHFFFAOYSA-N
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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