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Home > Imidazoles > 27538-35-8
27538-35-8 | 2-Propenoic acid, 3-(1H-imidazol-5-yl)-, ethyl ester
CAS No: 27538-35-8 Catalog No: AG002U10 MDL No:
Product Description
Catalog Number:
AG002U10
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-5-yl)-, ethyl ester
CAS Number:
27538-35-8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
ethyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate
InChI:
InChI=1S/C8H10N2O2/c1-2-12-8(11)4-3-7-5-9-6-10-7/h3-6H,2H2,1H3,(H,9,10)/b4-3+
InChI Key:
HPMLGOFBKNGJAM-ONEGZZNKSA-N
SMILES:
CCOC(=O)C=Cc1cnc[nH]1
EC Number:
248-515-1
UNII:
GS4W88OP01
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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