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740752-56-1 | 3-[4-(1H-imidazol-1-yl)phenyl]prop-2-enoic acid
CAS No: 740752-56-1 Catalog No: AG019NXV MDL No:MFCD06205441
Product Description
Catalog Number:
AG019NXV
Chemical Name:
3-[4-(1H-imidazol-1-yl)phenyl]prop-2-enoic acid
CAS Number:
740752-56-1
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD06205441
IUPAC Name:
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H10N2O2/c15-12(16)6-3-10-1-4-11(5-2-10)14-8-7-13-9-14/h1-9H,(H,15,16)
InChI Key:
VTPHRTMDCPLTTK-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)n1cncc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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