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119403-48-4 | Propanoic acid, 2-(4-hydroxyphenoxy)-, phenylmethyl ester
CAS No: 119403-48-4 Catalog No: AG000IQD MDL No:
Product Description
Catalog Number:
AG000IQD
Chemical Name:
Propanoic acid, 2-(4-hydroxyphenoxy)-, phenylmethyl ester
CAS Number:
119403-48-4
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
benzyl 2-(4-hydroxyphenoxy)propanoate
InChI:
InChI=1S/C16H16O4/c1-12(20-15-9-7-14(17)8-10-15)16(18)19-11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3
InChI Key:
RFDDGMVYZCNBBO-UHFFFAOYSA-N
SMILES:
O=C(C(Oc1ccc(cc1)O)C)OCc1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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