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29668-43-7 | 1,4-Benzodioxin-5-carboxaldehyde, 2,3-dihydro-
CAS No: 29668-43-7 Catalog No: AG002Z1B MDL No:MFCD00239451
Product Description
Catalog Number:
AG002Z1B
Chemical Name:
1,4-Benzodioxin-5-carboxaldehyde, 2,3-dihydro-
CAS Number:
29668-43-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00239451
IUPAC Name:
2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
InChI:
InChI=1S/C9H8O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,6H,4-5H2
InChI Key:
BJXUCBAQZJITKD-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1OCCO2
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1.1
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