AG0053AE

80-42-2 | Benzenesulfonic acid,propyl ester

AG0053AE

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	80-42-2
Catalog Number	AG0053AE(AGN-PC-0JNA7K)
Chemical Name	Benzenesulfonic acid,propyl ester
EC Number	201-278-8
IUPAC Name	propyl benzenesulfonate
InChI	InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	OCNPXKLQSGAGKT-UHFFFAOYSA-N
MDL Number	MFCD00996025
Molecular Formula	C9H12O3S
Molecular Weight	200.2548
NSC Number	3216
SMILES	O=S(C1=CC=CC=C1)(OCCC)=O
Synonyms	PROPYL BENZENESULFONATE, 80-42-2, Benzenesulfonic acid, propyl ester, NSC 3216, Benzenesulfonic acid,propyl ester, Benzenesulfonic Acid Propyl Ester, n-propylbenzene-sulfonate, AC1L58TB, SCHEMBL778545, DTXSID7058834, CTK5E7763, NSC3216, OCNPXKLQSGAGKT-UHFFFAOYSA-N, KS-00000M4V, NSC-3216, ZINC1666651, MFCD00996025, AKOS027427147, AK481899, DS-18921, FT-0674095, Propyl benzenesulphonate, propylbenzensulfonat-, CCRIS 9162, C9H12O3S, EINECS 201-278-8, C9-H12-O3-S, CID220447,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.051g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.252g/mol
Monoisotopic Mass	200.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number