Salicylic Acid Impurity 23

CAT: 1596-AR-S09885-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S09885-01Size:10 Units

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CAS Number

32499-37-9

Molecular Formula

C9H10O6S

Molecular Weight

246.23

API Name

Salicylic acid

Chemical Information

Salicylic acid Impurity 28

CAS Number	32499-37-9
PubChem CID	176489807
IUPAC Name	5-ethoxysulfonyl-2-hydroxybenzoic acid
Molecular Formula	C9H10O6S
Molecular Weight	246.24
XLogP	2.2
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	344

SMILES

CCOS(=O)(=O)C1=CC(=C(C=C1)O)C(=O)O

InChI

InChI=1S/C9H10O6S/c1-2-15-16(13,14)6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)

InChIKey

LCGILNCUCBIGOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32499-37-9

CID: 176489807

Formula: C9H10O6S

MW: 246.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.24
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	246.01980921
Monoisotopic Mass	246.01980921
Topological Polar Surface Area	109 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes