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149105-26-0 | Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester
CAS No: 149105-26-0 Catalog No: AG001LDR MDL No:MFCD08704557
Product Description
Catalog Number:
AG001LDR
Chemical Name:
Pentanoic acid, 5-(2,5-dimethylphenoxy)-2,2-dimethyl-, 2-methylpropyl ester
CAS Number:
149105-26-0
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
MDL Number:
MFCD08704557
IUPAC Name:
2-methylpropyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
InChI:
InChI=1S/C19H30O3/c1-14(2)13-22-18(20)19(5,6)10-7-11-21-17-12-15(3)8-9-16(17)4/h8-9,12,14H,7,10-11,13H2,1-6H3
InChI Key:
REPYTKNMHNVOPH-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C(CCCOc1cc(C)ccc1C)(C)C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.219g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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