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1142234-16-9 | Benzenepropanoic acid, β-ethyl-3-hydroxy-, methyl ester
CAS No: 1142234-16-9 Catalog No: AG000AUZ MDL No:MFCD27959541
Product Description
Catalog Number:
AG000AUZ
Chemical Name:
Benzenepropanoic acid, β-ethyl-3-hydroxy-, methyl ester
CAS Number:
1142234-16-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD27959541
IUPAC Name:
methyl 3-(3-hydroxyphenyl)pentanoate
InChI:
InChI=1S/C12H16O3/c1-3-9(8-12(14)15-2)10-5-4-6-11(13)7-10/h4-7,9,13H,3,8H2,1-2H3
InChI Key:
APYKJHDCYFIQJM-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1)O)CC(=O)OC
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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