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72740-36-4 | 1H-Azepine-3-carboxaldehyde,hexahydro-1-methyl-2-oxo-
CAS No: 72740-36-4 Catalog No: AG0062DJ MDL No:MFCD30342581
Product Description
Catalog Number:
AG0062DJ
Chemical Name:
1H-Azepine-3-carboxaldehyde,hexahydro-1-methyl-2-oxo-
CAS Number:
72740-36-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD30342581
IUPAC Name:
1-methyl-2-oxoazepane-3-carbaldehyde
InChI:
InChI=1S/C8H13NO2/c1-9-5-3-2-4-7(6-10)8(9)11/h6-7H,2-5H2,1H3
InChI Key:
HSPAARAHYPTIRW-UHFFFAOYSA-N
SMILES:
O=CC1CCCCN(C1=O)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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