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Home > Imidazoles > 1423037-14-2
1423037-14-2 | 3-(1-ethyl-1H-imidazol-2-yl)prop-2-enoic acid hydrochloride
CAS No: 1423037-14-2 Catalog No: AG01A3EY MDL No:MFCD22741257
Product Description
Catalog Number:
AG01A3EY
Chemical Name:
3-(1-ethyl-1H-imidazol-2-yl)prop-2-enoic acid hydrochloride
CAS Number:
1423037-14-2
Molecular Formula:
C8H11ClN2O2
Molecular Weight:
202.6381
MDL Number:
MFCD22741257
IUPAC Name:
3-(1-ethylimidazol-2-yl)prop-2-enoic acid;hydrochloride
InChI:
InChI=1S/C8H10N2O2.ClH/c1-2-10-6-5-9-7(10)3-4-8(11)12;/h3-6H,2H2,1H3,(H,11,12);1H
InChI Key:
YXQAGLKGTIRJIE-UHFFFAOYSA-N
SMILES:
CCn1ccnc1C=CC(=O)O.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.638g/mol
Monoisotopic Mass:
202.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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