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Home > Aldehydes > 170708-98-2
170708-98-2 | 2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde
CAS No: 170708-98-2 Catalog No: AG01AN5H MDL No:MFCD24675217
Product Description
Catalog Number:
AG01AN5H
Chemical Name:
2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde
CAS Number:
170708-98-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD24675217
IUPAC Name:
2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde
InChI:
InChI=1S/C11H12O3/c12-8-9-3-4-10-11(7-9)14-6-2-1-5-13-10/h3-4,7-8H,1-2,5-6H2
InChI Key:
CTAFCKTVMVPWDS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)OCCCCO2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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