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69393-13-1 | 1H-Imidazole, 1-(1-oxopentyl)-
CAS No: 69393-13-1 Catalog No: AG006F38 MDL No:
Product Description
Catalog Number:
AG006F38
Chemical Name:
1H-Imidazole, 1-(1-oxopentyl)-
CAS Number:
69393-13-1
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
1-imidazol-1-ylpentan-1-one
InChI:
InChI=1S/C8H12N2O/c1-2-3-4-8(11)10-6-5-9-7-10/h5-7H,2-4H2,1H3
InChI Key:
UCWOKUYNNVMZCR-UHFFFAOYSA-N
SMILES:
CCCCC(=O)n1cncc1
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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