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1201-86-1 | 2-Butenoic acid, 3-(4-fluorophenyl)-
CAS No: 1201-86-1 Catalog No: AG000QAU MDL No:MFCD09033432
Product Description
Catalog Number:
AG000QAU
Chemical Name:
2-Butenoic acid, 3-(4-fluorophenyl)-
CAS Number:
1201-86-1
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
MDL Number:
MFCD09033432
IUPAC Name:
3-(4-fluorophenyl)but-2-enoic acid
InChI:
InChI=1S/C10H9FO2/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChI Key:
DCEOLKDAOUIFHW-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)O)c1ccc(cc1)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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