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190516-30-4 | Benzoic acid, 3-methoxy-, 2,2,4-trimethyl-3-oxopentyl ester
CAS No: 190516-30-4 Catalog No: AG002ELE MDL No:
Product Description
Catalog Number:
AG002ELE
Chemical Name:
Benzoic acid, 3-methoxy-, 2,2,4-trimethyl-3-oxopentyl ester
CAS Number:
190516-30-4
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
(2,2,4-trimethyl-3-oxopentyl) 3-methoxybenzoate
InChI:
InChI=1S/C16H22O4/c1-11(2)14(17)16(3,4)10-20-15(18)12-7-6-8-13(9-12)19-5/h6-9,11H,10H2,1-5H3
InChI Key:
GHHQWHUASGAEOL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)OCC(C(=O)C(C)C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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