sodium;3-chloro-2-hydroxypropanoic acid;hydride

C3H6ClNaO3 — CID 175406960

IUPACsodium;3-chloro-2-hydroxypropanoic acid;hydride
SMILESO=C(O)C(O)CCl.[H-].[Na+]
InChIInChI=1S/C3H5ClO3.Na.H/c4-1-2(5)3(6)7;;/h2,5H,1H2,(H,6,7);;/q;+1;-1
InChIKeySCHWPNRXUNYBBN-UHFFFAOYSA-N
MW148.52 g/mol
LogP-3.21
Rot. Bonds2

About sodium;3-chloro-2-hydroxypropanoic acid;hydride

sodium;3-chloro-2-hydroxypropanoic acid;hydride (PubChem CID 175406960) has the molecular formula C3H6ClNaO3 and a molecular weight of 148.52 g/mol. Its IUPAC name is sodium;3-chloro-2-hydroxypropanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-chloro-2-hydroxypropanoic acid;hydride
PubChem CID175406960
Molecular FormulaC3H6ClNaO3
Molecular Weight148.52 g/mol
Exact Mass147.99
IUPAC Namesodium;3-chloro-2-hydroxypropanoic acid;hydride
SMILESO=C(O)C(O)CCl.[H-].[Na+]
InChIInChI=1S/C3H5ClO3.Na.H/c4-1-2(5)3(6)7;;/h2,5H,1H2,(H,6,7);;/q;+1;-1
InChIKeySCHWPNRXUNYBBN-UHFFFAOYSA-N
XLogP-3.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.52
LogP ≤ 5-3.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(2-chloro-1-hydroxyethyl)but-2-enedioic acid
CID 54184676
sodium;hydride;(2R)-2-hydroxypentanedioic acid
CID 174887046
sodium;hydride;2-hydroxy-4-oxo-4-sulfanylbutanoic acid
CID 173003308
2,3-dihydroxypropanoic acid
CID 175601105
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
CID 131873477
CID 131873477
tetrakis(2,3-dihydroxypropanoic acid);silane
CID 174191422
alumane;2,3-dihydroxypropanoic acid
CID 173322444
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
CID 158303129
CID 158303129
CID 156591905
CID 156591905

Frequently Asked Questions

What is the IUPAC name of sodium;3-chloro-2-hydroxypropanoic acid;hydride?
The IUPAC name of sodium;3-chloro-2-hydroxypropanoic acid;hydride (CID 175406960) is sodium;3-chloro-2-hydroxypropanoic acid;hydride.
What is the SMILES notation for sodium;3-chloro-2-hydroxypropanoic acid;hydride?
The canonical SMILES for sodium;3-chloro-2-hydroxypropanoic acid;hydride is O=C(O)C(O)CCl.[H-].[Na+].
What is the InChIKey of sodium;3-chloro-2-hydroxypropanoic acid;hydride?
The InChIKey is SCHWPNRXUNYBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO3.Na.H/c4-1-2(5)3(6)7;;/h2,5H,1H2,(H,6,7);;/q;+1;-1.
What are the key properties of sodium;3-chloro-2-hydroxypropanoic acid;hydride?
sodium;3-chloro-2-hydroxypropanoic acid;hydride has a molecular weight of 148.52 g/mol, XLogP of -3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-chloro-2-hydroxypropanoic acid;hydride is sourced from PubChem (CID 175406960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).