AG00DF3P

Name: 4-Nitro-3-(octanoyloxy)benzoic acid
Brand: Angene Chemical
SKU: AG00DF3P

55894-52-5 | 4-Nitro-3-(octanoyloxy)benzoic acid

AG00DF3P

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CAS Number	55894-52-5
Catalog Number	AG00DF3P(AGN-PC-02MPFF)
Chemical Name	4-Nitro-3-(octanoyloxy)benzoic acid
IUPAC Name	4-nitro-3-octanoyloxybenzoic acid
InChI	InChI=1S/C15H19NO6/c1-2-3-4-5-6-7-14(17)22-13-10-11(15(18)19)8-9-12(13)16(20)21/h8-10H,2-7H2,1H3,(H,18,19)
InChI Key	VDCATWRTRISVBZ-UHFFFAOYSA-N
MDL Number	MFCD00132973
Molecular Formula	C15H19NO6
Molecular Weight	309.3145
SMILES	O=C(O)C1=CC=C([N+]([O-])=O)C(OC(CCCCCCC)=O)=C1
Synonyms	4-nitro-3-(octanoyloxy)benzoic acid, 4-nitro-3-octanoyloxybenzoic acid, 4-NOOBA, 4-NITRO-3-(OCTANOYLOXY)BENZOIC ACID, 55894-52-5, Benzoic acid, 4-nitro-3-[(1-oxooctyl)oxy]-, SCHEMBL7827434, CTK1E2300, DTXSID80602602, 4-nitro-3-octanoyloxy-benzoic acid, AKOS025405254, 4-NOOBA, 4-nitro-3-octanoyloxybenzoic acid, 4-Nitro-3-[(1-oxooctyl)oxy]benzoic Acid, C104459,

Complexity	392
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	309.121g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	309.318g/mol
Monoisotopic Mass	309.121g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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