acetic acid;7-hydroxychromen-2-one

C11H10O5 — CID 88810969

IUPACacetic acid;7-hydroxychromen-2-one
SMILESCC(=O)O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C9H6O3.C2H4O2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-2(3)4/h1-5,10H;1H3,(H,3,4)
InChIKeyPOEXTBMIWBUCKM-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.59
Rot. Bonds

About acetic acid;7-hydroxychromen-2-one

acetic acid;7-hydroxychromen-2-one (PubChem CID 88810969) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is acetic acid;7-hydroxychromen-2-one.

Molecular Properties

Compound Nameacetic acid;7-hydroxychromen-2-one
PubChem CID88810969
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Nameacetic acid;7-hydroxychromen-2-one
SMILESCC(=O)O.O=c1ccc2ccc(O)cc2o1
InChIInChI=1S/C9H6O3.C2H4O2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-2(3)4/h1-5,10H;1H3,(H,3,4)
InChIKeyPOEXTBMIWBUCKM-UHFFFAOYSA-N
XLogP1.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxychromen-2-one;phosphoric acid
CID 87360141
7-hydroxychromen-2-one;methyl dihydrogen phosphate
CID 87123175
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
(E)-3-(2-oxochromen-7-yl)prop-2-enoic acid
CID 119091471
3-(3,4-dihydroxyphenyl)prop-2-enoic acid;7-hydroxychromen-2-one;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)prop-2-enoic acid
CID 173309607
7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
CID 10925304
6,7-dihydroxychromen-2-one
CID 5281416
6,7-dihydroxychromen-2-one;phosphane
CID 175526881
7-aminochromen-2-one;(2S)-2-aminopropanoic acid
CID 87395737
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
7-aminochromen-2-one;ethane
CID 166456004
bis(6-hydroxy-1-benzofuran-2-yl)methanone
CID 13393486

Frequently Asked Questions

What is the IUPAC name of acetic acid;7-hydroxychromen-2-one?
The IUPAC name of acetic acid;7-hydroxychromen-2-one (CID 88810969) is acetic acid;7-hydroxychromen-2-one.
What is the SMILES notation for acetic acid;7-hydroxychromen-2-one?
The canonical SMILES for acetic acid;7-hydroxychromen-2-one is CC(=O)O.O=c1ccc2ccc(O)cc2o1.
What is the InChIKey of acetic acid;7-hydroxychromen-2-one?
The InChIKey is POEXTBMIWBUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O3.C2H4O2/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;1-2(3)4/h1-5,10H;1H3,(H,3,4).
What are the key properties of acetic acid;7-hydroxychromen-2-one?
acetic acid;7-hydroxychromen-2-one has a molecular weight of 222.20 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7-hydroxychromen-2-one is sourced from PubChem (CID 88810969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).