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99875-27-1 | HEXAHYDRO-2-OXO-1(2H)-AZOCINECARBOXALDEHYDE
CAS No: 99875-27-1 Catalog No: AG004X73 MDL No:
Product Description
Catalog Number:
AG004X73
Chemical Name:
HEXAHYDRO-2-OXO-1(2H)-AZOCINECARBOXALDEHYDE
CAS Number:
99875-27-1
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
2-oxoazocane-1-carbaldehyde
InChI:
InChI=1S/C8H13NO2/c10-7-9-6-4-2-1-3-5-8(9)11/h7H,1-6H2
InChI Key:
SJJXPNZUJWTJNG-UHFFFAOYSA-N
SMILES:
O=CN1CCCCCCC1=O
Properties
Complexity:
156
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:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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