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7252-39-3 | 3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
CAS No: 7252-39-3 Catalog No: AG005GFL MDL No:
Product Description
Catalog Number:
AG005GFL
Chemical Name:
3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
CAS Number:
7252-39-3
Molecular Formula:
C14H20O5
Molecular Weight:
268.3056
IUPAC Name:
3-methylbutyl 4-hydroxy-3,5-dimethoxybenzoate
InChI:
InChI=1S/C14H20O5/c1-9(2)5-6-19-14(16)10-7-11(17-3)13(15)12(8-10)18-4/h7-9,15H,5-6H2,1-4H3
InChI Key:
JCIVXRLPANLUIA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)OC)C(=O)OCCC(C)C
NSC Number:
16712
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.309g/mol
Monoisotopic Mass:
268.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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