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102568-16-1 | Nonanoic acid, 4-sulfophenyl ester
CAS No: 102568-16-1 Catalog No: AG0007Q8 MDL No:
Product Description
Catalog Number:
AG0007Q8
Chemical Name:
Nonanoic acid, 4-sulfophenyl ester
CAS Number:
102568-16-1
Molecular Formula:
C15H22O5S
Molecular Weight:
314.3972
IUPAC Name:
4-nonanoyloxybenzenesulfonic acid
InChI:
InChI=1S/C15H22O5S/c1-2-3-4-5-6-7-8-15(16)20-13-9-11-14(12-10-13)21(17,18)19/h9-12H,2-8H2,1H3,(H,17,18,19)
InChI Key:
VNEUMNOZRFLRPI-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)Oc1ccc(cc1)S(=O)(=O)O
UNII:
OE4Q2PUW6J
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.396g/mol
Monoisotopic Mass:
314.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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