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Home > Aldehydes > 123373-28-4
123373-28-4 | 1,4-Benzodioxin-5-carboxaldehyde, 2,3-dihydro-6-hydroxy-
CAS No: 123373-28-4 Catalog No: AG000KH5 MDL No:
Product Description
Catalog Number:
AG000KH5
Chemical Name:
1,4-Benzodioxin-5-carboxaldehyde, 2,3-dihydro-6-hydroxy-
CAS Number:
123373-28-4
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
IUPAC Name:
6-hydroxy-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
InChI:
InChI=1S/C9H8O4/c10-5-6-7(11)1-2-8-9(6)13-4-3-12-8/h1-2,5,11H,3-4H2
InChI Key:
UKSCFPMGORNPMF-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)ccc2c1OCCO2
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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