2-methoxyprop-2-enoic acid;nitric acid

C4H7NO6 — CID 174788096

IUPAC2-methoxyprop-2-enoic acid;nitric acid
SMILESC=C(OC)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C4H6O3.HNO3/c1-3(7-2)4(5)6;2-1(3)4/h1H2,2H3,(H,5,6);(H,2,3,4)
InChIKeyYAVOUFWMADUBIK-UHFFFAOYSA-N
MW165.10 g/mol
LogP-0.12
Rot. Bonds2

About 2-methoxyprop-2-enoic acid;nitric acid

2-methoxyprop-2-enoic acid;nitric acid (PubChem CID 174788096) has the molecular formula C4H7NO6 and a molecular weight of 165.10 g/mol. Its IUPAC name is 2-methoxyprop-2-enoic acid;nitric acid.

Molecular Properties

Compound Name2-methoxyprop-2-enoic acid;nitric acid
PubChem CID174788096
Molecular FormulaC4H7NO6
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Name2-methoxyprop-2-enoic acid;nitric acid
SMILESC=C(OC)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C4H6O3.HNO3/c1-3(7-2)4(5)6;2-1(3)4/h1H2,2H3,(H,5,6);(H,2,3,4)
InChIKeyYAVOUFWMADUBIK-UHFFFAOYSA-N
XLogP-0.12
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nitro 2-methoxyprop-2-enoate
CID 174788095
2-cyanoprop-2-enoic acid;2-methoxyprop-2-enoic acid
CID 174905541
hydrogen peroxide;nitric acid
CID 22590704
4-hydroxy-2-methylidenebutanoic acid;nitric acid
CID 175526871
dilithium;hydride;nitric acid;oxalic acid
CID 173422788
N-methylmethanamine;nitric acid
CID 13379149
carbonic acid;methane;nitric acid
CID 172861779
carbonic acid;cerium;nitric acid
CID 174736285
iron;nitric acid;nonahydrate
CID 161165031
nitric acid;ruthenium;dinitrate
CID 173436166
disodium;nitric acid;sulfide
CID 162139753
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tris(2-methylprop-2-enoic acid);nitric acid
CID 172787675

Frequently Asked Questions

What is the IUPAC name of 2-methoxyprop-2-enoic acid;nitric acid?
The IUPAC name of 2-methoxyprop-2-enoic acid;nitric acid (CID 174788096) is 2-methoxyprop-2-enoic acid;nitric acid.
What is the SMILES notation for 2-methoxyprop-2-enoic acid;nitric acid?
The canonical SMILES for 2-methoxyprop-2-enoic acid;nitric acid is C=C(OC)C(=O)O.O=[N+]([O-])O.
What is the InChIKey of 2-methoxyprop-2-enoic acid;nitric acid?
The InChIKey is YAVOUFWMADUBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.HNO3/c1-3(7-2)4(5)6;2-1(3)4/h1H2,2H3,(H,5,6);(H,2,3,4).
What are the key properties of 2-methoxyprop-2-enoic acid;nitric acid?
2-methoxyprop-2-enoic acid;nitric acid has a molecular weight of 165.10 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyprop-2-enoic acid;nitric acid is sourced from PubChem (CID 174788096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).