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148458-64-4 | 1H-Imidazole-1-butanoic acid, methyl ester
CAS No: 148458-64-4 Catalog No: AG001KXN MDL No:
Product Description
Catalog Number:
AG001KXN
Chemical Name:
1H-Imidazole-1-butanoic acid, methyl ester
CAS Number:
148458-64-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
methyl 4-imidazol-1-ylbutanoate
InChI:
InChI=1S/C8H12N2O2/c1-12-8(11)3-2-5-10-6-4-9-7-10/h4,6-7H,2-3,5H2,1H3
InChI Key:
DEVMPPKHDFHGEN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCn1cncc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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