acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

C9H10O6 — CID 175426280

IUPACacetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCC(=O)O.O=C1C=C2C(=CCOC2O)O1
InChIInChI=1S/C7H6O4.C2H4O2/c8-6-3-4-5(11-6)1-2-10-7(4)9;1-2(3)4/h1,3,7,9H,2H2;1H3,(H,3,4)
InChIKeyBUMYQQDQPGESPQ-UHFFFAOYSA-N
MW214.17 g/mol
LogP-0.21
Rot. Bonds

About acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one

acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one (PubChem CID 175426280) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one.

Molecular Properties

Compound Nameacetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
PubChem CID175426280
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Nameacetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCC(=O)O.O=C1C=C2C(=CCOC2O)O1
InChIInChI=1S/C7H6O4.C2H4O2/c8-6-3-4-5(11-6)1-2-10-7(4)9;1-2(3)4/h1,3,7,9H,2H2;1H3,(H,3,4)
InChIKeyBUMYQQDQPGESPQ-UHFFFAOYSA-N
XLogP-0.21
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The IUPAC name of acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one (CID 175426280) is acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one.
What is the SMILES notation for acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The canonical SMILES for acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one is CC(=O)O.O=C1C=C2C(=CCOC2O)O1.
What is the InChIKey of acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The InChIKey is BUMYQQDQPGESPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4.C2H4O2/c8-6-3-4-5(11-6)1-2-10-7(4)9;1-2(3)4/h1,3,7,9H,2H2;1H3,(H,3,4).
What are the key properties of acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one has a molecular weight of 214.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one is sourced from PubChem (CID 175426280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).