CAS: 89-41-8
이름: 4-methoxy-3-nitrobenzoic acid
SMILES:
COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]Molecular Processing
Molecular formula
C8H7NO5
Molecular weight
197.15
Exact mass
197.0324
XLogP
1.3
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
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
46.61
Supplementary Information
InChIKey: ANXBDAFDZSXOPQ-UHFFFAOYSA-N
동의어
4-Methoxy-3-nitrobenzoic acid3-Nitro-p-anisic acid3-Nitro-4-methoxybenzoic acidBenzoic acid, 4-methoxy-3-nitro-p-Anisic acid, 3-nitro-UNII-DD71O31OLZDD71O31OLZEINECS 201-906-0NSC 29085NSC-29085DTXSID0058988ANXBDAFDZSXOPQ-UHFFFAOYSA-EC 201-906-0RefChem:99597DTXCID8048656p-Anisic acid, 3-nitro-(8CI)ANXBDAFDZSXOPQ-UHFFFAOYSA-NInChI=1/C8H7NO5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)89-41-8MFCD000072564-Methoxy-3-nitro-benzoic acid4-Methoxy-3-nitrobenzoicacidDabigatran Etexilate Impurity 34-Methoxy-3-nitrobenzoic Acid; 3-Nitro-4-methoxybenzoic Acid; 3-Nitro-p-anisic Acid; NSC 29085;NSC29085Oprea1_3705774Methoxy-3-nitrobenzoic acidSCHEMBL1763573-nitro4-methoxy benzoic acid3-nitro-4-methoxy benzoic acid
60개 반응에 참여→