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1260836-04-1 | Butanoic acid, 3-methyl-, 4-(hydroxymethyl)phenyl ester
CAS No: 1260836-04-1 Catalog No: AG000RF3 MDL No:
Product Description
Catalog Number:
AG000RF3
Chemical Name:
Butanoic acid, 3-methyl-, 4-(hydroxymethyl)phenyl ester
CAS Number:
1260836-04-1
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
[4-(hydroxymethyl)phenyl] 3-methylbutanoate
InChI:
InChI=1S/C12H16O3/c1-9(2)7-12(14)15-11-5-3-10(8-13)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChI Key:
VFXZWSDQZZDPMR-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OC(=O)CC(C)C
Properties
Complexity:
193
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:
2.3
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