AG00C8B0

41833-13-0 | 4-Hydroxy-3-nitrobenzyl alcohol

AG00C8B0

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CAS Number	41833-13-0
Catalog Number	AG00C8B0(AGN-PC-0WAJNL)
Chemical Name	4-Hydroxy-3-nitrobenzyl alcohol
IUPAC Name	4-(hydroxymethyl)-2-nitrophenol
InChI	InChI=1S/C7H7NO4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,9-10H,4H2
InChI Key	IMLGJYRKLCMJPI-UHFFFAOYSA-N
MDL Number	MFCD00024249
Molecular Formula	C7H7NO4
Molecular Weight	169.1348
SMILES	OC1=CC=C(CO)C=C1[N+]([O-])=O
Synonyms	4-Hydroxy-3-nitrobenzyl alcohol, 4-(Hydroxymethyl)-2-nitrophenol, 41833-13-0, IMLGJYRKLCMJPI-UHFFFAOYSA-N, 4-Hydroxy-3- Nitrobenzyl Alcohol, PubChem22917, AC1L3LCI, AC1Q7C0V, SCHEMBL1736272, 3-nitro-4-hydroxybenzyl alcohol, CTK4I5280, DTXSID70194642, Benzenemethanol,4-hydroxy-3-nitro-, 4-(Hydroxymethyl)-2-nitrophenol #, 5757AB, Benzenemethanol, 4-hydroxy-3-nitro-, MFCD00024249, ZINC36072263, AKOS007930455, ACN-049196, AS05985, CM13434, CS-W005522, MCULE-8584759652, VZ29187, KS-00000O57, AC-22893, AJ-92380, AK115598, SC-16685, ST2405443, TR-016475, 4-Hydroxy-3-nitrobenzyl alcohol, AldrichCPR, 4CH-017069, FT-0639740, ST50405826, A23840, C-4923, I01-16085, C7H7NO4, CID142550, 4-HYDROXY-3-NITROBENZYLALCOHOL,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.136g/mol
Monoisotopic Mass	169.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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