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89216-34-2 | 1H-Azepine-1-carboxaldehyde, hexahydro-2-(2-oxopropyl)-
CAS No: 89216-34-2 Catalog No: AG0043QF MDL No:MFCD21950130
Product Description
Catalog Number:
AG0043QF
Chemical Name:
1H-Azepine-1-carboxaldehyde, hexahydro-2-(2-oxopropyl)-
CAS Number:
89216-34-2
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
MDL Number:
MFCD21950130
IUPAC Name:
2-(2-oxopropyl)azepane-1-carbaldehyde
InChI:
InChI=1S/C10H17NO2/c1-9(13)7-10-5-3-2-4-6-11(10)8-12/h8,10H,2-7H2,1H3
InChI Key:
ZTMKQVWANUAXMC-UHFFFAOYSA-N
SMILES:
O=CN1CCCCCC1CC(=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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