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89882-47-3 | 1H-Imidazole-1,5-dipropanol
CAS No: 89882-47-3 Catalog No: AG006P6K MDL No:
Product Description
Catalog Number:
AG006P6K
Chemical Name:
1H-Imidazole-1,5-dipropanol
CAS Number:
89882-47-3
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
IUPAC Name:
3-[3-(3-hydroxypropyl)imidazol-4-yl]propan-1-ol
InChI:
InChI=1S/C9H16N2O2/c12-5-1-3-9-7-10-8-11(9)4-2-6-13/h7-8,12-13H,1-6H2
InChI Key:
SFQLXAXHUNMGON-UHFFFAOYSA-N
SMILES:
OCCCn1cncc1CCCO
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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