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88723-38-0 | Ethanone, 1-[2-(1-pyrrolidinyl)-1H-imidazol-4-yl]-
CAS No: 88723-38-0 Catalog No: AG0045NH MDL No:
Product Description
Catalog Number:
AG0045NH
Chemical Name:
Ethanone, 1-[2-(1-pyrrolidinyl)-1H-imidazol-4-yl]-
CAS Number:
88723-38-0
Molecular Formula:
C9H13N3O
Molecular Weight:
179.2190
IUPAC Name:
1-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)ethanone
InChI:
InChI=1S/C9H13N3O/c1-7(13)8-6-10-9(11-8)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,11)
InChI Key:
OECOELLMWXBRMR-UHFFFAOYSA-N
SMILES:
CC(=O)c1nc([nH]c1)N1CCCC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.223g/mol
Monoisotopic Mass:
179.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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