dichloromethane;3-hydroxypropanoic acid

C4H8Cl2O3 — CID 87483179

IUPACdichloromethane;3-hydroxypropanoic acid
SMILESClCCl.O=C(O)CCO
InChIInChI=1S/C3H6O3.CH2Cl2/c4-2-1-3(5)6;2-1-3/h4H,1-2H2,(H,5,6);1H2
InChIKeySVLRIRQMVMHFFO-UHFFFAOYSA-N
MW175.01 g/mol
LogP0.87
Rot. Bonds2

About dichloromethane;3-hydroxypropanoic acid

dichloromethane;3-hydroxypropanoic acid (PubChem CID 87483179) has the molecular formula C4H8Cl2O3 and a molecular weight of 175.01 g/mol. Its IUPAC name is dichloromethane;3-hydroxypropanoic acid.

Molecular Properties

Compound Namedichloromethane;3-hydroxypropanoic acid
PubChem CID87483179
Molecular FormulaC4H8Cl2O3
Molecular Weight175.01 g/mol
Exact Mass173.99
IUPAC Namedichloromethane;3-hydroxypropanoic acid
SMILESClCCl.O=C(O)CCO
InChIInChI=1S/C3H6O3.CH2Cl2/c4-2-1-3(5)6;2-1-3/h4H,1-2H2,(H,5,6);1H2
InChIKeySVLRIRQMVMHFFO-UHFFFAOYSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.01
LogP ≤ 50.87
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

bismuthane;3-hydroxypropanoic acid
CID 173193859
bis(3-hydroxypropanoic acid);oxotitanium
CID 58999446
butane;3-hydroxypropanoic acid
CID 87992662
butanoic acid;3-hydroxypropanoic acid
CID 87339228
bis(2-chloroacetic acid);ethane-1,2-diol
CID 71439919
acetonitrile;azane;3-hydroxypropanoic acid
CID 173223409
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
3-chloropropanoic acid;indigane
CID 173230746
azane;3-chloropropanoic acid
CID 87695597
carbonic acid;dichloromethane
CID 87514103
8-hydroxy-6-oxooctanoic acid
CID 22280337
benzene;3-chloropropanoic acid
CID 70473560

Frequently Asked Questions

What is the IUPAC name of dichloromethane;3-hydroxypropanoic acid?
The IUPAC name of dichloromethane;3-hydroxypropanoic acid (CID 87483179) is dichloromethane;3-hydroxypropanoic acid.
What is the SMILES notation for dichloromethane;3-hydroxypropanoic acid?
The canonical SMILES for dichloromethane;3-hydroxypropanoic acid is ClCCl.O=C(O)CCO.
What is the InChIKey of dichloromethane;3-hydroxypropanoic acid?
The InChIKey is SVLRIRQMVMHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.CH2Cl2/c4-2-1-3(5)6;2-1-3/h4H,1-2H2,(H,5,6);1H2.
What are the key properties of dichloromethane;3-hydroxypropanoic acid?
dichloromethane;3-hydroxypropanoic acid has a molecular weight of 175.01 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;3-hydroxypropanoic acid is sourced from PubChem (CID 87483179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).