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16189-10-9 | 2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, (2E)-
CAS No: 16189-10-9 Catalog No: AG001VZ6 MDL No:MFCD00014375
Product Description
Catalog Number:
AG001VZ6
Chemical Name:
2-Propenoic acid, 3-[2-(acetyloxy)phenyl]-, (2E)-
CAS Number:
16189-10-9
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
MDL Number:
MFCD00014375
IUPAC Name:
(E)-3-(2-acetyloxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H10O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChI Key:
UXOWQQCLBQBRMQ-VOTSOKGWSA-N
SMILES:
OC(=O)/C=C/c1ccccc1OC(=O)C
NSC Number:
98725
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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