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124999-48-0 | Methyl3-(1-Methyl-2-imidazolyl)-3-oxopropionate
CAS No: 124999-48-0 Catalog No: AG00HHVF MDL No:MFCD26395446
Product Description
Catalog Number:
AG00HHVF
Chemical Name:
Methyl3-(1-Methyl-2-imidazolyl)-3-oxopropionate
CAS Number:
124999-48-0
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD26395446
IUPAC Name:
methyl 3-(1-methylimidazol-2-yl)-3-oxopropanoate
InChI:
InChI=1S/C8H10N2O3/c1-10-4-3-9-8(10)6(11)5-7(12)13-2/h3-4H,5H2,1-2H3
InChI Key:
DKILAHBHAICVRS-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1nccn1C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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