CAS: 104-03-0
이름: 2-(4-nitrophenyl)acetic acid
SMILES:
C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-]Molecular Processing
Molecular formula
C8H7NO4
Molecular weight
181.15
Exact mass
181.0375
XLogP
1.22
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.44
Supplementary Information
InChIKey: YBADLXQNJCMBKR-UHFFFAOYSA-N
동의어
4-Nitrophenylacetic acid104-03-02-(4-NITROPHENYL)ACETIC ACIDp-nitrophenylacetic acid(4-Nitrophenyl)acetic acid4-Nitrobenzeneacetic acidBenzeneacetic acid, 4-nitro-2-(p-Nitrophenyl)acetic acidAcetic acid, (p-nitrophenyl)-KLB4P626REDTXSID6059289NSC-5398CHEBI:40443RefChem:858156DTXCID8032837203-168-52-(4-Nitrophenoxy)acetic acidMFCD000073834-nitrophenylacetate(4-Nitro-phenyl)-acetic acid4-nitrophenylaceticacid(p-Nitrophenyl)acetic acid1ajnAANCCRIS 23384-Nitrophenylaetic acidNSC 53984-Nitrobenzencacetic AcidEINECS 203-168-5UNII-KLB4P626RE
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