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14574-06-2 | Benzenepropanol, 4-hydroxy-3-methoxy-, 1-acetate
CAS No: 14574-06-2 Catalog No: AG001DDJ MDL No:
Product Description
Catalog Number:
AG001DDJ
Chemical Name:
Benzenepropanol, 4-hydroxy-3-methoxy-, 1-acetate
CAS Number:
14574-06-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)propyl acetate
InChI:
InChI=1S/C12H16O4/c1-9(13)16-7-3-4-10-5-6-11(14)12(8-10)15-2/h5-6,8,14H,3-4,7H2,1-2H3
InChI Key:
HWPCWZNRZMBRPO-UHFFFAOYSA-N
SMILES:
COc1cc(CCCOC(=O)C)ccc1O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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