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141868-18-0 | Propanoic acid, 2,2-dimethyl-, 4-hydroxy-3,5-dimethoxyphenyl ester
CAS No: 141868-18-0 Catalog No: AG001HA5 MDL No:
Product Description
Catalog Number:
AG001HA5
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 4-hydroxy-3,5-dimethoxyphenyl ester
CAS Number:
141868-18-0
Molecular Formula:
C13H18O5
Molecular Weight:
254.2790
IUPAC Name:
(4-hydroxy-3,5-dimethoxyphenyl) 2,2-dimethylpropanoate
InChI:
InChI=1S/C13H18O5/c1-13(2,3)12(15)18-8-6-9(16-4)11(14)10(7-8)17-5/h6-7,14H,1-5H3
InChI Key:
HMXQHCNZVLUNRD-UHFFFAOYSA-N
SMILES:
COc1cc(OC(=O)C(C)(C)C)cc(c1O)OC
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.282g/mol
Monoisotopic Mass:
254.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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