dideuterio(113C)methanone

CH2O — CID 90474223

IUPACdideuterio(113C)methanone
SMILES[2H][13C]([2H])=O
InChIInChI=1S/CH2O/c1-2/h1H2/i1+1D2
InChIKeyWSFSSNUMVMOOMR-WGVGGRBOSA-N
MW33.03 g/mol
LogP-0.18
Rot. Bonds

About dideuterio(113C)methanone

dideuterio(113C)methanone (PubChem CID 90474223) has the molecular formula CH2O and a molecular weight of 33.03 g/mol. Its IUPAC name is dideuterio(113C)methanone.

Molecular Properties

Compound Namedideuterio(113C)methanone
PubChem CID90474223
Molecular FormulaCH2O
Molecular Weight33.03 g/mol
Exact Mass33.03
IUPAC Namedideuterio(113C)methanone
SMILES[2H][13C]([2H])=O
InChIInChI=1S/CH2O/c1-2/h1H2/i1+1D2
InChIKeyWSFSSNUMVMOOMR-WGVGGRBOSA-N
XLogP-0.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50033.03
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dideuterio(113C)methanone?
The IUPAC name of dideuterio(113C)methanone (CID 90474223) is dideuterio(113C)methanone.
What is the SMILES notation for dideuterio(113C)methanone?
The canonical SMILES for dideuterio(113C)methanone is [2H][13C]([2H])=O.
What is the InChIKey of dideuterio(113C)methanone?
The InChIKey is WSFSSNUMVMOOMR-WGVGGRBOSA-N. The full InChI is InChI=1S/CH2O/c1-2/h1H2/i1+1D2.
What are the key properties of dideuterio(113C)methanone?
dideuterio(113C)methanone has a molecular weight of 33.03 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio(113C)methanone is sourced from PubChem (CID 90474223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).