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18999-48-9 | 1H-Imidazole-1-propanoic acid, 2-methyl-, ethyl ester
CAS No: 18999-48-9 Catalog No: AG002E76 MDL No:MFCD02602292
Product Description
Catalog Number:
AG002E76
Chemical Name:
1H-Imidazole-1-propanoic acid, 2-methyl-, ethyl ester
CAS Number:
18999-48-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD02602292
IUPAC Name:
ethyl 3-(2-methylimidazol-1-yl)propanoate
InChI:
InChI=1S/C9H14N2O2/c1-3-13-9(12)4-6-11-7-5-10-8(11)2/h5,7H,3-4,6H2,1-2H3
InChI Key:
ZWDNBRFFSIJPGQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCn1ccnc1C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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