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92607-80-2 | 4H-1,3-Benzodioxin-6-carboxaldehyde
CAS No: 92607-80-2 Catalog No: AG006G27 MDL No:MFCD18451429
Product Description
Catalog Number:
AG006G27
Chemical Name:
4H-1,3-Benzodioxin-6-carboxaldehyde
CAS Number:
92607-80-2
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD18451429
IUPAC Name:
4H-1,3-benzodioxine-6-carbaldehyde
InChI:
InChI=1S/C9H8O3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-4H,5-6H2
InChI Key:
GNQQVGXSVAZLGQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)COCO2
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:
0.9
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