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68887-65-0 | 1H-Imidazole-1-pentanoic acid
CAS No: 68887-65-0 Catalog No: AG0060RK MDL No:MFCD08668384
Product Description
Catalog Number:
AG0060RK
Chemical Name:
1H-Imidazole-1-pentanoic acid
CAS Number:
68887-65-0
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08668384
IUPAC Name:
5-imidazol-1-ylpentanoic acid
InChI:
InChI=1S/C8H12N2O2/c11-8(12)3-1-2-5-10-6-4-9-7-10/h4,6-7H,1-3,5H2,(H,11,12)
InChI Key:
YTRRZWTXQVETAL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCn1cncc1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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