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114543-43-0 | 5H-Pyrrolo[1,2-a]imidazol-5-one, 7a-hexylhexahydro-
CAS No: 114543-43-0 Catalog No: AG000ENG MDL No:
Product Description
Catalog Number:
AG000ENG
Chemical Name:
5H-Pyrrolo[1,2-a]imidazol-5-one, 7a-hexylhexahydro-
CAS Number:
114543-43-0
Molecular Formula:
C12H22N2O
Molecular Weight:
210.3159
IUPAC Name:
7a-hexyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
InChI:
InChI=1S/C12H22N2O/c1-2-3-4-5-7-12-8-6-11(15)14(12)10-9-13-12/h13H,2-10H2,1H3
InChI Key:
MHLIBFKJFUEMSS-UHFFFAOYSA-N
SMILES:
CCCCCCC12NCCN2C(=O)CC1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.321g/mol
Monoisotopic Mass:
210.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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