carbon dioxide;5-methyl-4H-chromen-3-one

C11H10O4 — CID 123220756

IUPACcarbon dioxide;5-methyl-4H-chromen-3-one
SMILESCc1cccc2c1CC(=O)CO2.O=C=O
InChIInChI=1S/C10H10O2.CO2/c1-7-3-2-4-10-9(7)5-8(11)6-12-10;2-1-3/h2-4H,5-6H2,1H3;
InChIKeyCZQNGBPZMCIIGN-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.92
Rot. Bonds

About carbon dioxide;5-methyl-4H-chromen-3-one

carbon dioxide;5-methyl-4H-chromen-3-one (PubChem CID 123220756) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is carbon dioxide;5-methyl-4H-chromen-3-one.

Molecular Properties

Compound Namecarbon dioxide;5-methyl-4H-chromen-3-one
PubChem CID123220756
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namecarbon dioxide;5-methyl-4H-chromen-3-one
SMILESCc1cccc2c1CC(=O)CO2.O=C=O
InChIInChI=1S/C10H10O2.CO2/c1-7-3-2-4-10-9(7)5-8(11)6-12-10;2-1-3/h2-4H,5-6H2,1H3;
InChIKeyCZQNGBPZMCIIGN-UHFFFAOYSA-N
XLogP0.92
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138981577
5-methyl-3,4-dihydro-2H-chromen-3-ol
CID 89155402
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CID 22567428
7-methyl-2,3,5,6-tetrahydro-1,4-benzodioxocine
CID 170038060
8,11-dimethyl-3,16-dioxatetracyclo[16.2.2.04,9.010,15]docosa-1(21),4,6,8,10,12,14,18(22),19-nonaene
CID 22971527
3,8-dimethyl-2,3,4,9-tetrahydroxanthen-1-one
CID 11651530
6,9-dimethyl-1,5-benzodioxepin-3-one
CID 16757234
(7S)-5,7,9-trimethyl-6,7-dihydro-5H-1,4,8-benzotrioxecin-3-one
CID 102088243
7-(1-ethoxyethenyl)-4H-chromen-3-one
CID 167680713
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
4-methyl-3H-indene-1,2-dione
CID 561993
5-methyl-4H-1,5-benzoxazepin-3-one
CID 83668267

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-methyl-4H-chromen-3-one?
The IUPAC name of carbon dioxide;5-methyl-4H-chromen-3-one (CID 123220756) is carbon dioxide;5-methyl-4H-chromen-3-one.
What is the SMILES notation for carbon dioxide;5-methyl-4H-chromen-3-one?
The canonical SMILES for carbon dioxide;5-methyl-4H-chromen-3-one is Cc1cccc2c1CC(=O)CO2.O=C=O.
What is the InChIKey of carbon dioxide;5-methyl-4H-chromen-3-one?
The InChIKey is CZQNGBPZMCIIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.CO2/c1-7-3-2-4-10-9(7)5-8(11)6-12-10;2-1-3/h2-4H,5-6H2,1H3;.
What are the key properties of carbon dioxide;5-methyl-4H-chromen-3-one?
carbon dioxide;5-methyl-4H-chromen-3-one has a molecular weight of 206.20 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-methyl-4H-chromen-3-one is sourced from PubChem (CID 123220756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).