AG01FPN9

Name: 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
Brand: Angene Chemical
SKU: AG01FPN9

57420-27-6 | 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid

AG01FPN9

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

Request For Quotation

CAS Number	57420-27-6
Catalog Number	AG01FPN9(AGN-PC-0JP7P5)
Chemical Name	2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
IUPAC Name	2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid
InChI	InChI=1S/C12H12O6/c13-11(14)5-8(12(15)16)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4,8H,3,5-6H2,(H,13,14)(H,15,16)
InChI Key	VXIGMHUBZXMCIU-UHFFFAOYSA-N
MDL Number	MFCD19328401
Molecular Formula	C12H12O6
Molecular Weight	252.2201
NSC Number	140905
SMILES	OC(=O)CC(C(=O)O)Cc1ccc2c(c1)OCO2
Synonyms	NSC140905, 57420-27-6, NSC-140905, 2-(1,3-benzodioxol-5-ylmethyl)butanedioic acid, CHEMBL1684097, SCHEMBL19018239, CTK5A6840, DTXSID70301071, AS-66895, NCI60_000898, DS-003402, 2-(1,3-benzodioxol-5-ylmethyl)succinic acid, 2-(Benzo[1,3]dioxol-5-ylmethyl)butanedioic acid, 2-(benzo[d][1,3]dioxol-5-ylmethyl)succinic acid, 2-[(1,3-Benzodioxole-5-yl)methyl]succinic acid, 2-[(2H-1,3-benzodioxol-5-yl)methyl]butanedioic acid, AC1Q5V8N, AC1L61I9, AR-1C5996, CID284727, 57866-70-3,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.063388g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	252.22g/mol
Monoisotopic Mass	252.063388g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	93.1Å²
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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