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137159-36-5 | 1H-Imidazole-5-carboxylic acid, 4-formyl-, ethyl ester
CAS No: 137159-36-5 Catalog No: AG0012VL MDL No:MFCD14636082
Product Description
Catalog Number:
AG0012VL
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-formyl-, ethyl ester
CAS Number:
137159-36-5
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
MDL Number:
MFCD14636082
IUPAC Name:
ethyl 5-formyl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C7H8N2O3/c1-2-12-7(11)6-5(3-10)8-4-9-6/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
HYBGPMFMANAJKW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C=O)nc[nH]1
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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