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Home > Aldehydes > 878427-46-4
878427-46-4 | 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS No: 878427-46-4 Catalog No: AG01EY4B MDL No:
Product Description
Catalog Number:
AG01EY4B
Chemical Name:
1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
878427-46-4
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
IUPAC Name:
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C16H17NO3/c1-11-8-13(10-18)12(2)17(11)14-4-5-15-16(9-14)20-7-3-6-19-15/h4-5,8-10H,3,6-7H2,1-2H3
InChI Key:
LTOGOQFMGBNPEP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccc2c(c1)OCCCO2)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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