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4720-68-7 | 1,3-Benzodioxole-5-carboxaldehyde, 6-hydroxy-
CAS No: 4720-68-7 Catalog No: AG0071JU MDL No:MFCD09864084
Product Description
Catalog Number:
AG0071JU
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 6-hydroxy-
CAS Number:
4720-68-7
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD09864084
IUPAC Name:
6-hydroxy-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H6O4/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-3,10H,4H2
InChI Key:
SXMMQAVECVAGBF-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2cc1O
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:
1.4
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