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137361-04-7 | Butanedioic acid, 2-sulfo-, 1,4-dicyclohexyl ester
CAS No: 137361-04-7 Catalog No: AG00135W MDL No:
Product Description
Catalog Number:
AG00135W
Chemical Name:
Butanedioic acid, 2-sulfo-, 1,4-dicyclohexyl ester
CAS Number:
137361-04-7
Molecular Formula:
C16H26O7S
Molecular Weight:
362.4384
IUPAC Name:
1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonic acid
InChI:
InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)
InChI Key:
QPSVFNQMURAADJ-UHFFFAOYSA-N
SMILES:
O=C(CC(S(=O)(=O)O)C(=O)OC1CCCCC1)OC1CCCCC1
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.437g/mol
Monoisotopic Mass:
362.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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