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Home > Aldehydes > 115563-60-5
115563-60-5 | 1,4-Benzodioxin-2-carboxaldehyde, 2,3-dihydro-, (2S)-
CAS No: 115563-60-5 Catalog No: AG000G6U MDL No:
Product Description
Catalog Number:
AG000G6U
Chemical Name:
1,4-Benzodioxin-2-carboxaldehyde, 2,3-dihydro-, (2S)-
CAS Number:
115563-60-5
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
(3S)-2,3-dihydro-1,4-benzodioxine-3-carbaldehyde
InChI:
InChI=1S/C9H8O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-5,7H,6H2/t7-/m1/s1
InChI Key:
TVBNTFVSONEKOU-SSDOTTSWSA-N
SMILES:
O=C[C@@H]1COc2c(O1)cccc2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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