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81805-98-3 | 1,3-Benzodioxole-5-carboxaldehyde,7-hydroxy-
CAS No: 81805-98-3 Catalog No: AG005HUJ MDL No:
Product Description
Catalog Number:
AG005HUJ
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde,7-hydroxy-
CAS Number:
81805-98-3
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
IUPAC Name:
7-hydroxy-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H6O4/c9-3-5-1-6(10)8-7(2-5)11-4-12-8/h1-3,10H,4H2
InChI Key:
WRORPNYJRVGCGT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(O)c2c(c1)OCO2
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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