Home Other Building Blocks Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester

Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester

CAS No.:
2312-35-8
Catalog Number:
AG002M8V
Molecular Formula:
C19H26O4S
Molecular Weight:
350.4723
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Product Description
Catalog Number:
AG002M8V
Chemical Name:
Sulfurous acid, 2-[4-(1,1-dimethylethyl)phenoxy]cyclohexyl 2-propyn-1-yl ester
CAS Number:
2312-35-8
Molecular Formula:
C19H26O4S
Molecular Weight:
350.4723
IUPAC Name:
[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite
InChI:
InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3
InChI Key:
ZYHMJXZULPZUED-UHFFFAOYSA-N
SMILES:
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C
EC Number:
219-006-1
UNII:
30M429ANKL
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.155g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.473g/mol
Monoisotopic Mass:
350.155g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
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