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1260683-92-8 | Propanoic acid, 2-methyl-, 3-(hydroxymethyl)phenyl ester
CAS No: 1260683-92-8 Catalog No: AG000R32 MDL No:
Product Description
Catalog Number:
AG000R32
Chemical Name:
Propanoic acid, 2-methyl-, 3-(hydroxymethyl)phenyl ester
CAS Number:
1260683-92-8
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
[3-(hydroxymethyl)phenyl] 2-methylpropanoate
InChI:
InChI=1S/C11H14O3/c1-8(2)11(13)14-10-5-3-4-9(6-10)7-12/h3-6,8,12H,7H2,1-2H3
InChI Key:
YODAGFFHSWRVBJ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)OC(=O)C(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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