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155449-46-0 | Propanoic acid, 2-hydroxy-, 2-phenylethyl ester
CAS No: 155449-46-0 Catalog No: AG001NX0 MDL No:
Product Description
Catalog Number:
AG001NX0
Chemical Name:
Propanoic acid, 2-hydroxy-, 2-phenylethyl ester
CAS Number:
155449-46-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-phenylethyl 2-hydroxypropanoate
InChI:
InChI=1S/C11H14O3/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChI Key:
IYXFDAOFSCZADY-UHFFFAOYSA-N
SMILES:
O=C(C(O)C)OCCc1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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