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1307308-76-4 | 1H-Imidazole-2-acetic acid, 4-acetyl-1,5-dimethyl-, methyl ester
CAS No: 1307308-76-4 Catalog No: AG000UVW MDL No:
Product Description
Catalog Number:
AG000UVW
Chemical Name:
1H-Imidazole-2-acetic acid, 4-acetyl-1,5-dimethyl-, methyl ester
CAS Number:
1307308-76-4
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
IUPAC Name:
methyl 2-(4-acetyl-1,5-dimethylimidazol-2-yl)acetate
InChI:
InChI=1S/C10H14N2O3/c1-6-10(7(2)13)11-8(12(6)3)5-9(14)15-4/h5H2,1-4H3
InChI Key:
JDCAVWRIBHDMFG-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1nc(c(n1C)C)C(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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