AG00DG8F

55076-32-9 | methyl 3-hydroxy-5-nitro-benzoate

AG00DG8F

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CAS Number	55076-32-9
Catalog Number	AG00DG8F(AGN-PC-0JOEQ6)
Chemical Name	methyl 3-hydroxy-5-nitro-benzoate
IUPAC Name	methyl 3-hydroxy-5-nitrobenzoate
InChI	InChI=1S/C8H7NO5/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,10H,1H3
InChI Key	HTYJYEKZUXJKKW-UHFFFAOYSA-N
MDL Number	MFCD00463877
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
NSC Number	44299
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC(O)=C1
Synonyms	Methyl 3-hydroxy-5-nitrobenzoate, 55076-32-9, Benzoic acid, 3-hydroxy-5-nitro-, methyl ester, methyl 3-hydroxy-5-nitro-benzoate, NSC44299, AC1Q5ALJ, AC1L62XF, Oprea1_584958, SCHEMBL708988, CTK5A2990, DTXSID10286232, methyl 5-hydroxy-3-nitrobenzoate, HTYJYEKZUXJKKW-UHFFFAOYSA-N, KS-000019UC, ZINC1676684, 8016AB, MFCD00463877, NSC-44299, STK366081, AKOS005442449, CM-2240, DS-4687, MCULE-3975726386, AJ-29453, 3-hydroxy-5-nitrobenzoic acid methyl ester, 4CH-003380, CS-0035962, ST51058722, Benzoic acid,3-hydroxy-5-nitro-, methyl ester, W-2811, Z1452187050, Benzoic acid, methyl ester, C8H7NO5, Methyl3-hydroxy-5-nitrobenzoate, AR-1H9183, CID239344, 6336-55-6,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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