CAS: 40751-89-1
이름: 2-methoxy-5-nitrobenzoic acid
SMILES:
COc1ccc([N+](=O)[O-])cc1C(=O)OMolecular 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: CVZUPRDSNNBZLH-UHFFFAOYSA-N
동의어
2-Methoxy-5-nitrobenzoic acid40751-89-1DTXSID30300904RefChem:87858DTXCID10252038670-278-1CVZUPRDSNNBZLH-UHFFFAOYSA-NMFCD005279022-Methoxy-5-nitro-benzoic acid2-METHOXY-5-NITROBENZOICACIDNSC139931SCHEMBL16719262-methoxy-5-nitro benzoic acidBBL035691STK498307AKOS000112213AB06422NSC 139931NSC-139931DS-13174SY045506DB-070080CS-0042693ST50662919EN300-13911F219408Z56174915F1414-03652-Methoxy-5-nitrobenzoic acid, MolPort-000-628-173, NSC139931, CID284163, STK498307, TL8002961, PB94677321, 40751-89-1
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