AG00IAWN

Name: 3-Nitro-1,2-benzenedimethanol
Brand: Angene Chemical
SKU: AG00IAWN

616888-05-2 | 3-Nitro-1,2-benzenedimethanol

AG00IAWN

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CAS Number	616888-05-2
Catalog Number	AG00IAWN(AGN-PC-0D8JS2)
Chemical Name	3-Nitro-1,2-benzenedimethanol
IUPAC Name	[2-(hydroxymethyl)-3-nitrophenyl]methanol
InChI	InChI=1S/C8H9NO4/c10-4-6-2-1-3-8(9(12)13)7(6)5-11/h1-3,10-11H,4-5H2
InChI Key	RTBJYRKBTZNNLE-UHFFFAOYSA-N
MDL Number	MFCD22572611
Molecular Formula	C8H9NO4
Molecular Weight	183.1614
SMILES	OCc1cccc(c1CO)[N+](=O)[O-]
Synonyms	3-Nitro-1,2-benzenedimethanol, 616888-05-2, SCHEMBL5622028, SCHEMBL16976381, RTBJYRKBTZNNLE-UHFFFAOYSA-N, 1,2-Benzenedimethanol, 3-nitro-, ZINC97756622, 1,2-bis(hydroxymethyl)-3-nitrobenzene,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	183.163g/mol
Monoisotopic Mass	183.053g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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