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1613049-50-5 | 3-(1-ethyl-1H-imidazol-2-yl)prop-2-enoic acid
CAS No: 1613049-50-5 Catalog No: AG01A2F8 MDL No:
Product Description
Catalog Number:
AG01A2F8
Chemical Name:
3-(1-ethyl-1H-imidazol-2-yl)prop-2-enoic acid
CAS Number:
1613049-50-5
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
IUPAC Name:
3-(1-ethylimidazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H10N2O2/c1-2-10-6-5-9-7(10)3-4-8(11)12/h3-6H,2H2,1H3,(H,11,12)
InChI Key:
DOQUAICTHKEIND-UHFFFAOYSA-N
SMILES:
CCn1ccnc1C=CC(=O)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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