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101482-85-3 | Nonanoic acid, sulfophenyl ester
CAS No: 101482-85-3 Catalog No: AG0004KN MDL No:
Product Description
Catalog Number:
AG0004KN
Chemical Name:
Nonanoic acid, sulfophenyl ester
CAS Number:
101482-85-3
Molecular Formula:
C15H22O5S
Molecular Weight:
314.3972
IUPAC Name:
2-nonanoyloxybenzenesulfonic acid
InChI:
InChI=1S/C15H22O5S/c1-2-3-4-5-6-7-12-15(16)20-13-10-8-9-11-14(13)21(17,18)19/h8-11H,2-7,12H2,1H3,(H,17,18,19)
InChI Key:
LTALJGSZILUUQA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)O
Properties
Complexity:
399
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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