COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
CAS: 99-42-3
Nom: methyl 4-hydroxy-3-nitrobenzoate
SMILES: COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]

Molecular Processing

Molecular formula
C8H7NO5
Molecular weight
197.15
Exact mass
197.0324
XLogP
1.09
TPSA
89.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
46.1

Supplementary Information

InChIKey: GNCWCTBHZCBXGL-UHFFFAOYSA-N
Synonymes
Methyl 4-hydroxy-3-nitrobenzoate4-Hydroxy-3-nitrobenzoic acid methyl esterBenzoic acid, 4-hydroxy-3-nitro-, methyl esterEINECS 202-755-3NSC 28667BRN 2115197DTXSID70591973-10-00-00378 (Beilstein Handbook Reference)RefChem:566016DTXCID5049106202-755-399-42-3Methyl 3-nitro-4-hydroxybenzoateMFCD00014695NSC-28667Methyl4-Hydroxy-3-nitrobenzoate3-NITRO-4-HYDROXYBENZOIC ACID METHYL ESTERDVQ75MEJ5YSCHEMBL531728SCHEMBL74054014-methoxycarbonyl-2-nitrophenolSCHEMBL13858799SCHEMBL16254547Methyl-4-hydroxy-3-nitrobenzoatem-Nitro-p-oxybenzoesauremethylesterALBB-023272NSC28667SBB000362STK149384AKOS000121332
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Recherche Etendue

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