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(PHENYLSULPHONYL)ACETICACID

(PHENYLSULPHONYL)ACETICACID structure

(PHENYLSULPHONYL)ACETICACID 

structure
  • CAS No:

    3959-23-7

  • Formula:

    C8H8O4S

  • Chemical Name:

    (PHENYLSULPHONYL)ACETICACID

  • Synonyms:

    AKOSBC-3141;AKOSBBS-00002853;IFLAB-BBF2109-0039;RARECHEMALBO0222;(PHENYLSULFONYL)ACETICACID;(PHENYLSULPHONYL)ACETICACID;2-Phenylsulfonylethanoicacid;(Phenylsulfonyl)aceticacid,97%;2-(Phenylsulphonyl)aceticacid;2-(PHENYLSULFONYL)-ACETICACID

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

(PHENYLSULPHONYL)ACETICACID Basic Attributes

200.212

200.014328

32353

DTXSID10275641

2916399090

Characteristics

79.82000

0.47

1.4±0.1 g/cm3

112 °C

452.2±37.0 °C at 760 mmHg

227.3±26.5 °C

1.567

Safety Information

R36/37/38

S26-S36

Xi: Irritant;

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

Computed Properties

Molecular Weight:200.21
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:200.01432991
Monoisotopic Mass:200.01432991
Topological Polar Surface Area:79.8
Heavy Atom Count:13
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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