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15913-17-4 | Benzeneacetic acid, α-hydroxy-4-methyl-, propyl ester
CAS No: 15913-17-4 Catalog No: AG001QIO MDL No:
Product Description
Catalog Number:
AG001QIO
Chemical Name:
Benzeneacetic acid, α-hydroxy-4-methyl-, propyl ester
CAS Number:
15913-17-4
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
propyl 2-hydroxy-2-(4-methylphenyl)acetate
InChI:
InChI=1S/C12H16O3/c1-3-8-15-12(14)11(13)10-6-4-9(2)5-7-10/h4-7,11,13H,3,8H2,1-2H3
InChI Key:
KUMFIUNBUPWSEM-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C(c1ccc(cc1)C)O
NSC Number:
15696
Properties
Complexity:
195
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:
2.4
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