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823180-38-7 | Propanoic acid, 2,2-dimethyl-, 5-[(4-methylphenyl)sulfonyl]pentyl ester
CAS No: 823180-38-7 Catalog No: AG00552O MDL No:
Product Description
Catalog Number:
AG00552O
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 5-[(4-methylphenyl)sulfonyl]pentyl ester
CAS Number:
823180-38-7
Molecular Formula:
C17H26O4S
Molecular Weight:
326.4509
IUPAC Name:
5-(4-methylphenyl)sulfonylpentyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C17H26O4S/c1-14-8-10-15(11-9-14)22(19,20)13-7-5-6-12-21-16(18)17(2,3)4/h8-11H,5-7,12-13H2,1-4H3
InChI Key:
GMIULKJQVYDIGN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCCCCOC(=O)C(C)(C)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.155g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.451g/mol
Monoisotopic Mass:
326.155g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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