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Home > Aldehydes > 116757-65-4
116757-65-4 | 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-7-hydroxy-
CAS No: 116757-65-4 Catalog No: AG000D6K MDL No:
Product Description
Catalog Number:
AG000D6K
Chemical Name:
1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-7-hydroxy-
CAS Number:
116757-65-4
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
6-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
InChI:
InChI=1S/C9H8O4/c10-5-6-3-8-9(4-7(6)11)13-2-1-12-8/h3-5,11H,1-2H2
InChI Key:
HLGVEQBXIXMISA-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCCOc2cc1O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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