AG00ABV2

Name: 4-(1,3-dithian-2-yl)benzoic Acid
Brand: Angene Chemical
SKU: AG00ABV2

168165-88-6 | 4-(1,3-dithian-2-yl)benzoic Acid

AG00ABV2

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CAS Number	168165-88-6
Catalog Number	AG00ABV2
Chemical Name	4-(1,3-dithian-2-yl)benzoic Acid
IUPAC Name	4-(1,3-dithian-2-yl)benzoic acid
InChI	InChI=1S/C11H12O2S2/c12-10(13)8-2-4-9(5-3-8)11-14-6-1-7-15-11/h2-5,11H,1,6-7H2,(H,12,13)
InChI Key	CPSYTIVTRCUOTA-UHFFFAOYSA-N
MDL Number	MFCD06208216
Molecular Formula	C11H12O2S2
Molecular Weight	240.3418
SMILES	O=C(O)C1=CC=C(C2SCCCS2)C=C1
Synonyms	4-(1,3-dithian-2-yl)benzoic Acid, 168165-88-6, AC1MQ60P, AC1Q735I, CTK7I7855, HMS1767B13, ZINC4206075, 4-(1,3-Dithiane-2-yl)benzoic acid, AKOS002664465, 4-(1,3-Dithian-2-yl)-benzoic acid, NE19048, NCGC00334898-01, EN300-13014, AB00732867-01, AB00732867-03, SR-01000068142, J-513200, SR-01000068142-1, Z89270842, CID3446575,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.028g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.335g/mol
Monoisotopic Mass	240.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited