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19213-72-0 | 1H-Imidazole-1-carboxylic acid, ethyl ester
CAS No: 19213-72-0 Catalog No: AG002FOT MDL No:MFCD00014498
Product Description
Catalog Number:
AG002FOT
Chemical Name:
1H-Imidazole-1-carboxylic acid, ethyl ester
CAS Number:
19213-72-0
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD00014498
IUPAC Name:
ethyl imidazole-1-carboxylate
InChI:
InChI=1S/C6H8N2O2/c1-2-10-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3
InChI Key:
YICRPEGTQDSFEX-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1cncc1
EC Number:
242-883-7
NSC Number:
82335
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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