(E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid

C9H7NO4 — CID 88958363

IUPAC(E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid
SMILESO=Nc1ccc(/C=C/C(=O)O)cc1O
InChIInChI=1S/C9H7NO4/c11-8-5-6(2-4-9(12)13)1-3-7(8)10-14/h1-5,11H,(H,12,13)/b4-2+
InChIKeyAMBCAVUHAWQLOW-DUXPYHPUSA-N
MW193.16 g/mol
LogP1.89
Rot. Bonds3

About (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid

(E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid (PubChem CID 88958363) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid
PubChem CID88958363
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name(E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid
SMILESO=Nc1ccc(/C=C/C(=O)O)cc1O
InChIInChI=1S/C9H7NO4/c11-8-5-6(2-4-9(12)13)1-3-7(8)10-14/h1-5,11H,(H,12,13)/b4-2+
InChIKeyAMBCAVUHAWQLOW-DUXPYHPUSA-N
XLogP1.89
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 689043
acetic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 159549195
(E)-3-(3-hydroxy-4,5-dinitrosophenyl)prop-2-enoic acid
CID 88958245
3-(3,4-dihydroxyphenyl)prop-2-enoic acid;formic acid
CID 175480823
3-[3-[5-(2-carboxyethenyl)-2-hydroxyphenyl]-4-hydroxyphenyl]prop-2-enoic acid
CID 73319213
3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid
CID 159175185
bis(1,1'-biphenyl);carbonic acid;(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CID 174847074
(Z)-3-[4-(4-hydroxy-3-nitrosobenzoyl)oxyphenyl]prop-2-enoic acid
CID 11981205
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
sodium [4-[(E)-2-carboxyethenyl]-2-hydroxyphenyl] sulfate
CID 169435793
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid (CID 88958363) is (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid is O=Nc1ccc(/C=C/C(=O)O)cc1O.
What is the InChIKey of (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid?
The InChIKey is AMBCAVUHAWQLOW-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H7NO4/c11-8-5-6(2-4-9(12)13)1-3-7(8)10-14/h1-5,11H,(H,12,13)/b4-2+.
What are the key properties of (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid?
(E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid has a molecular weight of 193.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-nitrosophenyl)prop-2-enoic acid is sourced from PubChem (CID 88958363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).