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4821-88-9 molecular structure
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6,7-dimethoxy-1,2-dihydrophthalazin-1-one

ChemBase ID: 289804
Molecular Formular: C10H10N2O3
Molecular Mass: 206.198
Monoisotopic Mass: 206.06914219
SMILES and InChIs

SMILES:
O=c1[nH]ncc2c1cc(OC)c(OC)c2
Canonical SMILES:
COc1cc2c(cc1OC)cn[nH]c2=O
InChI:
InChI=1S/C10H10N2O3/c1-14-8-3-6-5-11-12-10(13)7(6)4-9(8)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey:
ULUPECZWKSBPAW-UHFFFAOYSA-N

Cite this record

CBID:289804 http://www.chembase.cn/molecule-289804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6,7-dimethoxy-1,2-dihydrophthalazin-1-one
IUPAC Traditional name
6,7-dimethoxy-2H-phthalazin-1-one
Synonyms
6,7-Dimethoxyphthalazin-1(2H)-one
CAS Number
4821-88-9
PubChem SID
180675335
PubChem CID
12298545

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226154 Please log in.
Data Source Data ID
PubChem 12298545 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.842065  H Acceptors
H Donor LogD (pH = 5.5) 0.67454463 
LogD (pH = 7.4) 0.67440736  Log P 0.6745464 
Molar Refractivity 55.1039 cm3 Polarizability 20.079762 Å3
Polar Surface Area 59.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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