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Home > Aldehydes > 209256-62-2
209256-62-2 | 2H-1,5-Benzodioxepin-6-carboxaldehyde, 3,4-dihydro-
CAS No: 209256-62-2 Catalog No: AG002K4M MDL No:MFCD04972613
Product Description
Catalog Number:
AG002K4M
Chemical Name:
2H-1,5-Benzodioxepin-6-carboxaldehyde, 3,4-dihydro-
CAS Number:
209256-62-2
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD04972613
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepine-6-carbaldehyde
InChI:
InChI=1S/C10H10O3/c11-7-8-3-1-4-9-10(8)13-6-2-5-12-9/h1,3-4,7H,2,5-6H2
InChI Key:
VXDUBVRFTGUJCJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc2c1OCCCO2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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