200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 88210-53-1
88210-53-1 | 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, 2-ethylbutyl ester
CAS No: 88210-53-1 Catalog No: AG004DVU MDL No:
Product Description
Catalog Number:
AG004DVU
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, 2-ethylbutyl ester
CAS Number:
88210-53-1
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
2-ethylbutyl 3-(1H-imidazol-5-yl)prop-2-enoate
InChI:
InChI=1S/C12H18N2O2/c1-3-10(4-2)8-16-12(15)6-5-11-7-13-9-14-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,13,14)
InChI Key:
SMVIJQXLYJNIQS-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C=Cc1nc[nH]c1)CC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.