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Home > Aldehydes > 109209-80-5
109209-80-5 | 2,3,4,5-tetrahydrobenzo[b]oxepine-7-carbaldehyde
CAS No: 109209-80-5 Catalog No: AG0091JS MDL No:
Product Description
Catalog Number:
AG0091JS
Chemical Name:
2,3,4,5-tetrahydrobenzo[b]oxepine-7-carbaldehyde
CAS Number:
109209-80-5
IUPAC Name:
2,3,4,5-tetrahydro-1-benzoxepine-7-carbaldehyde
InChI:
InChI=1S/C11H12O2/c12-8-9-4-5-11-10(7-9)3-1-2-6-13-11/h4-5,7-8H,1-3,6H2
InChI Key:
LETPWSJKLLDKPX-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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