CAS
9011-02-3 Purity
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9011-02-3 Purity
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1,4-Benzodioxin-6,7-diol,2,3-dihydro-
CAS
90111-35-6
Catalog Number
ACM90111356
Category
Other Products
Molecular Weight
168.1467
Molecular Formula
C8H8O4
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Specification
Synonyms
1,4-BENZODIOXAN-6,7-DIOL, 90111-35-6, AGN-PC-00O2C4, CTK5G7420, MolPort-003-991-650, ZINC14628807, AKOS006292069, AG-H-69058, KB-10504, 2,3-dihydro-1,4-benzodioxine-6,7-diol, 1,4-Benzodioxin-6,7-diol, 2,3-dihydro-, I14-30737
IUPAC Name
2,3-dihydro-1,4-benzodioxine-6,7-diol
Canonical SMILES
C1COC2=CC(=C(C=C2O1)O)O
InChI Key
OFJMLLBLUIVEIY-UHFFFAOYSA-N
Boiling Point
368.6ºC at 760 mmHg
Flash Point
176.7ºC
Density
1.459 g/cm³
Exact Mass
168.04200
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 1,4-Benzodioxin-6,7-diol,2,3-dihydro according to the reference?
The molecular formula of 1,4-Benzodioxin-6,7-diol,2,3-dihydro is C8H8O4.
When was 1,4-Benzodioxin-6,7-diol,2,3-dihydro created and modified in PubChem?
It was created on 2007-02-08 and modified on 2023-12-30.
What is the IUPAC name of 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
The IUPAC name is 2,3-dihydro-1,4-benzodioxine-6,7-diol.
What is the InChIKey of 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
The InChIKey is OFJMLLBLUIVEIY-UHFFFAOYSA-N.
What is the molecular weight of 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
The molecular weight is 168.15 g/mol.
What is the Canonical SMILES representation of 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
The Canonical SMILES is C1COC2=C(O1)C=C(C(=C2)O)O.
How many hydrogen bond donor counts are there in the structure of 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
There are 2 hydrogen bond donor counts.
What is the topological polar surface area of 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
The topological polar surface area is 58.9 Ų.
How many defined atom stereocenter counts are there in 1,4-Benzodioxin-6,7-diol,2,3-dihydro?
There are 0 defined atom stereocenter counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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901124-75-2 Purity
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901124-75-2 Purity
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