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599-91-7 | Propyl 4-methylbenzenesulfonate
CAS No: 599-91-7 Catalog No: AG003TZY MDL No:MFCD00059244
Product Description
Catalog Number:
AG003TZY
Chemical Name:
Propyl 4-methylbenzenesulfonate
CAS Number:
599-91-7
Molecular Formula:
C10H14O3S
Molecular Weight:
214.2814
MDL Number:
MFCD00059244
IUPAC Name:
propyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI Key:
JTTWNTXHFYNETH-UHFFFAOYSA-N
SMILES:
CCCOS(=O)(=O)c1ccc(cc1)C
EC Number:
209-978-5
NSC Number:
11005
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.279g/mol
Monoisotopic Mass:
214.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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