200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 54260-89-8
54260-89-8 | methyl (E)-3-(1H-imidazol-4-yl)acrylate monohydrochloride
CAS No: 54260-89-8 Catalog No: AG00DLYM MDL No:MFCD14525574
Product Description
Catalog Number:
AG00DLYM
Chemical Name:
methyl (E)-3-(1H-imidazol-4-yl)acrylate monohydrochloride
CAS Number:
54260-89-8
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD14525574
IUPAC Name:
methyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;hydrochloride
InChI:
InChI=1S/C7H8N2O2.ClH/c1-11-7(10)3-2-6-4-8-5-9-6;/h2-5H,1H3,(H,8,9);1H/b3-2+;
InChI Key:
ZCBDROJOIVNJSB-SQQVDAMQSA-N
SMILES:
COC(=O)/C=C/c1c[nH]cn1.Cl
EC Number:
259-047-2
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.