AG01A5AB

Name: 7-nitro-1,3-dioxaindane-5-carboxylic acid
Brand: Angene Chemical
SKU: AG01A5AB

7112-72-3 | 7-nitro-1,3-dioxaindane-5-carboxylic acid

AG01A5AB

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CAS Number	7112-72-3
Catalog Number	AG01A5AB(AGN-PC-0WO3NU)
Chemical Name	7-nitro-1,3-dioxaindane-5-carboxylic acid
IUPAC Name	7-nitro-1,3-benzodioxole-5-carboxylic acid
InChI	InChI=1S/C8H5NO6/c10-8(11)4-1-5(9(12)13)7-6(2-4)14-3-15-7/h1-2H,3H2,(H,10,11)
InChI Key	AKXGHFHZVBDAQB-UHFFFAOYSA-N
MDL Number	MFCD12173032
Molecular Formula	C8H5NO6
Molecular Weight	211.1284
SMILES	OC(C1=CC([N+]([O-])=O)=C2C(OCO2)=C1)=O
Synonyms	7-nitro-2H-1,3-benzodioxole-5-carboxylic acid, 7112-72-3, SCHEMBL6252537, ZINC35333697, AKOS009486808, MCULE-2144216323, NE32225, 7-Nitro-1,3-dioxaindane-5-carboxylic acid, Z1622825085, 7-nitro-benzo[1,3]dioxole-5-carboxylic acid,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.012g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	211.129g/mol
Monoisotopic Mass	211.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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