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136416-11-0 | Benzenepropanoic acid, 2-(3-hydroxypropyl)-, ethyl ester
CAS No: 136416-11-0 Catalog No: AG0011V4 MDL No:
Product Description
Catalog Number:
AG0011V4
Chemical Name:
Benzenepropanoic acid, 2-(3-hydroxypropyl)-, ethyl ester
CAS Number:
136416-11-0
Molecular Formula:
C14H20O3
Molecular Weight:
236.3068
IUPAC Name:
ethyl 3-[2-(3-hydroxypropyl)phenyl]propanoate
InChI:
InChI=1S/C14H20O3/c1-2-17-14(16)10-9-13-7-4-3-6-12(13)8-5-11-15/h3-4,6-7,15H,2,5,8-11H2,1H3
InChI Key:
LPHCKZXZNGHREJ-UHFFFAOYSA-N
SMILES:
OCCCc1ccccc1CCC(=O)OCC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.141g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.311g/mol
Monoisotopic Mass:
236.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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