AG00341Z

10463-20-4 | 2-(4-Hydroxy-3-nitrophenyl)acetic acid

AG00341Z

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CAS Number	10463-20-4
Catalog Number	AG00341Z(AGN-PC-0JRCDL)
Chemical Name	2-(4-Hydroxy-3-nitrophenyl)acetic acid
EC Number	233-948-0
IUPAC Name	2-(4-hydroxy-3-nitrophenyl)acetic acid
InChI	InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
InChI Key	QBHBHOSRLDPIHG-UHFFFAOYSA-N
MDL Number	MFCD00007122
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	OC1=C(C=C(C=C1)CC(=O)O)[N+](=O)[O-]
Synonyms	(4-hydroxy-3-nitrophenyl)acetyl, 3-nitro-4-hydroxyphenylacetic acid, 4-hydroxy-3-nitrophenyl acetyl, 4-hydroxy-3-nitrophenylacetate, 4-hydroxy-3-nitrophenylacetic acid, 4-hydroxy-3-nitrophenylacetyl, 4-hydroxy-5-nitrophenyl acetic acid, 4-OHNOPHAX, hapten NP, NP-hapten, 4-Hydroxy-3-nitrophenylacetic acid, 10463-20-4, 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID, (4-hydroxy-3-nitrophenyl)acetic acid, 3-nitro-4-hydroxyphenylacetic acid, 3-Nitro-4-hydroxy phenylacetic acid, Benzeneacetic acid, 4-hydroxy-3-nitro-, CHEBI:546274, QBHBHOSRLDPIHG-UHFFFAOYSA-N, MFCD00007122, FR-0333, AK-86283, 4-Hydroxy-3-nitrophenylacetic acid, 99%, 4-hydroxy-5-nitrophenyl acetic acid, Hapten NP, NP-Hapten, NO2HPA, 4-OHNOPHAX, hydroxynitrophenylaceticacid, ACMC-2098cj, Epitope ID:158629, AC1L9KS2, KSC494M5T, SCHEMBL231627, 4-hydroxy-3-nitrophenyl acetyl, CHEMBL501822, (4-hydroxy-3-nitrophenyl)acetyl, CTK3J4659, KS-00000YRO, HMS3604M07, PAA-0219, ZINC3861564, ZX-AT018269, ZX-BK001172, 3-nitro 4-hydroxyphenyl acetic acid, 4-hydroxy-3-nitrophenyl acetic acid, ANW-15089, BBL020928, FCH932031, OR6819, SBB007785, STK893634, 4-Hydroxy-3-nitrobenzene-acetic acid, AKOS001476531, CS-W001085, DB08294, MCULE-8905134401, RP11593, RTR-001015, VZ29189, AJ-90233, BP-12837, SC-46464, AB0034551, AX8006241, DB-040553, ST2403961, TR-001015, 4CH-000712, AM20020140, FT-0618650, ST50406545, X8723, Y-9394, 2X-0807, I04-5745, J-506014, InChI=1/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12, 4-Acetyl-2-nitrophenol, C8H7NO5, 4-hydroxy-3-nitrophenylacetyl, 4-Hydroxy-3-nitrophenylacetate, C8-H7-N-O5, EINECS 233-948-0, 2-(4-hydroxy-3-nitrophenyl)acetate, CID447364, H1362, 4-Hydroxy-3-nitrophenylacetic acid, 99% 1g, 4-Hydroxy-3-nitrophenylacetic acid, 98% - 1G 1g, NPA,

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	2
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	103A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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