dichloromethane;prop-2-enoic acid

C4H6Cl2O2 — CID 87132958

IUPACdichloromethane;prop-2-enoic acid
SMILESC=CC(=O)O.ClCCl
InChIInChI=1S/C3H4O2.CH2Cl2/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);1H2
InChIKeySZXXRHVWVHHUDO-UHFFFAOYSA-N
MW157.00 g/mol
LogP1.68
Rot. Bonds1

About dichloromethane;prop-2-enoic acid

dichloromethane;prop-2-enoic acid (PubChem CID 87132958) has the molecular formula C4H6Cl2O2 and a molecular weight of 157.00 g/mol. Its IUPAC name is dichloromethane;prop-2-enoic acid.

Molecular Properties

Compound Namedichloromethane;prop-2-enoic acid
PubChem CID87132958
Molecular FormulaC4H6Cl2O2
Molecular Weight157.00 g/mol
Exact Mass155.97
IUPAC Namedichloromethane;prop-2-enoic acid
SMILESC=CC(=O)O.ClCCl
InChIInChI=1S/C3H4O2.CH2Cl2/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);1H2
InChIKeySZXXRHVWVHHUDO-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.00
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonochloridic acid;prop-2-enoic acid
CID 159375670
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659
iron(2+);prop-2-enoic acid
CID 10290804
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
dichloromethane;prop-2-enoyl chloride
CID 146265417

Frequently Asked Questions

What is the IUPAC name of dichloromethane;prop-2-enoic acid?
The IUPAC name of dichloromethane;prop-2-enoic acid (CID 87132958) is dichloromethane;prop-2-enoic acid.
What is the SMILES notation for dichloromethane;prop-2-enoic acid?
The canonical SMILES for dichloromethane;prop-2-enoic acid is C=CC(=O)O.ClCCl.
What is the InChIKey of dichloromethane;prop-2-enoic acid?
The InChIKey is SZXXRHVWVHHUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.CH2Cl2/c1-2-3(4)5;2-1-3/h2H,1H2,(H,4,5);1H2.
What are the key properties of dichloromethane;prop-2-enoic acid?
dichloromethane;prop-2-enoic acid has a molecular weight of 157.00 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;prop-2-enoic acid is sourced from PubChem (CID 87132958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).