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19143-96-5 | Benzenebutanoic acid, 4-hydroxy-2-methyl-, methyl ester
CAS No: 19143-96-5 Catalog No: AG002F93 MDL No:
Product Description
Catalog Number:
AG002F93
Chemical Name:
Benzenebutanoic acid, 4-hydroxy-2-methyl-, methyl ester
CAS Number:
19143-96-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
methyl 4-(4-hydroxy-2-methylphenyl)butanoate
InChI:
InChI=1S/C12H16O3/c1-9-8-11(13)7-6-10(9)4-3-5-12(14)15-2/h6-8,13H,3-5H2,1-2H3
InChI Key:
IRNAEQYUWFFPFL-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1ccc(cc1C)O
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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