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1228098-29-0 | 4-(1,4-OXAZEPAN-4-YL)BENZALDEHYDE
CAS No: 1228098-29-0 Catalog No: AG01C8MP MDL No:MFCD17261818
Product Description
Catalog Number:
AG01C8MP
Chemical Name:
4-(1,4-OXAZEPAN-4-YL)BENZALDEHYDE
CAS Number:
1228098-29-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD17261818
IUPAC Name:
4-(1,4-oxazepan-4-yl)benzaldehyde
InChI:
InChI=1S/C12H15NO2/c14-10-11-2-4-12(5-3-11)13-6-1-8-15-9-7-13/h2-5,10H,1,6-9H2
InChI Key:
SCWPGNLLOAATDJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCOCCC1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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