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1026411-22-2 | 1H-Imidazole-2-carboxylic acid, 4-amino-1-(methoxymethyl)-, ethyl ester
CAS No: 1026411-22-2 Catalog No: AG00080E MDL No:
Product Description
Catalog Number:
AG00080E
Chemical Name:
1H-Imidazole-2-carboxylic acid, 4-amino-1-(methoxymethyl)-, ethyl ester
CAS Number:
1026411-22-2
Molecular Formula:
C8H13N3O3
Molecular Weight:
199.2071
IUPAC Name:
ethyl 4-amino-1-(methoxymethyl)imidazole-2-carboxylate
InChI:
InChI=1S/C8H13N3O3/c1-3-14-8(12)7-10-6(9)4-11(7)5-13-2/h4H,3,5,9H2,1-2H3
InChI Key:
MEDFELAXODGQMF-UHFFFAOYSA-N
SMILES:
COCn1cc(nc1C(=O)OCC)N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.21g/mol
Monoisotopic Mass:
199.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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