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28958-85-2 | 2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, monohydrochloride, (3R,4R)- (9CI)
CAS No: 28958-85-2 Catalog No: AG002UZ4 MDL No:
Product Description
Catalog Number:
AG002UZ4
Chemical Name:
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, monohydrochloride, (3R,4R)- (9CI)
CAS Number:
28958-85-2
Molecular Formula:
C11H17ClN2O2
Molecular Weight:
244.7179
IUPAC Name:
(3R,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one;hydrochloride
InChI:
InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10+;/m0./s1
InChI Key:
RNAICSBVACLLGM-KXNXZCPBSA-N
SMILES:
CC[C@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl
EC Number:
249-338-2
UNII:
5NX545O53Z
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
244.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.719g/mol
Monoisotopic Mass:
244.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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