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Home > Fluorides > 1454901-07-5
1454901-07-5 | 3-(4-fluoro-2-methylphenyl)prop-2-enoic acid,
CAS No: 1454901-07-5 Catalog No: AG01FAGF MDL No:
Product Description
Catalog Number:
AG01FAGF
Chemical Name:
3-(4-fluoro-2-methylphenyl)prop-2-enoic acid,
CAS Number:
1454901-07-5
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
IUPAC Name:
(E)-3-(4-fluoro-2-methylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9FO2/c1-7-6-9(11)4-2-8(7)3-5-10(12)13/h2-6H,1H3,(H,12,13)/b5-3+
InChI Key:
PYZZLFVFTBBWEK-HWKANZROSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1C)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
2.3
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