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137159-34-3 | 1H-Imidazole-5-carboxylic acid, 4-(diethoxymethyl)-, ethyl ester
CAS No: 137159-34-3 Catalog No: AG0012VM MDL No:
Product Description
Catalog Number:
AG0012VM
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-(diethoxymethyl)-, ethyl ester
CAS Number:
137159-34-3
Molecular Formula:
C11H18N2O4
Molecular Weight:
242.2716
IUPAC Name:
ethyl 5-(diethoxymethyl)-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C11H18N2O4/c1-4-15-10(14)8-9(13-7-12-8)11(16-5-2)17-6-3/h7,11H,4-6H2,1-3H3,(H,12,13)
InChI Key:
CWKNTPWKEFUBIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cnc1C(OCC)OCC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.275g/mol
Monoisotopic Mass:
242.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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