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1867600-86-9 | methyl (2R)-2-(1H-imidazol-1-yl)-4-methylpentanoate
CAS No: 1867600-86-9 Catalog No: AG01B533 MDL No:MFCD29991902
Product Description
Catalog Number:
AG01B533
Chemical Name:
methyl (2R)-2-(1H-imidazol-1-yl)-4-methylpentanoate
CAS Number:
1867600-86-9
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
MDL Number:
MFCD29991902
IUPAC Name:
methyl (2R)-2-imidazol-1-yl-4-methylpentanoate
InChI:
InChI=1S/C10H16N2O2/c1-8(2)6-9(10(13)14-3)12-5-4-11-7-12/h4-5,7-9H,6H2,1-3H3/t9-/m1/s1
InChI Key:
ZBAXVWGOMYPZGG-SECBINFHSA-N
SMILES:
COC(=O)[C@H](n1cncc1)CC(C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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