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936249-84-2 | 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-4-YL)-BENZOIC ACID METHYL ESTER
CAS No: 936249-84-2 Catalog No: AG006ETN MDL No:
Product Description
Catalog Number:
AG006ETN
Chemical Name:
4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZOL-4-YL)-BENZOIC ACID METHYL ESTER
CAS Number:
936249-84-2
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
methyl 4-(2-oxo-1,3-dihydroimidazol-4-yl)benzoate
InChI:
InChI=1S/C11H10N2O3/c1-16-10(14)8-4-2-7(3-5-8)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15)
InChI Key:
CPCUVLMJMCCJPF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1c[nH]c(=O)[nH]1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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