CAS
99713-56-6 Purity
96%
99713-56-6 Purity
96%
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1,2-Dihydro-5-methoxy-3H-indazol-3-one
CAS
99719-37-6
Catalog Number
ACM99719376
Category
Other Products
Molecular Weight
164.16
Molecular Formula
C8H8N2O2
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Specification
Synonyms
1,2-Dihydro-5-methoxy-3H-indazol-3-one;3-Hydroxy-5-methoxy (1H)indazole
IUPAC Name
5-methoxy-1,2-dihydroindazol-3-one
Canonical SMILES
COC1=CC2=C(C=C1)NNC2=O
InChI Key
JVIODNHCPBUTPK-UHFFFAOYSA-N
Boiling Point
259.205ºC at 760 mmHg
Flash Point
110.564ºC
Density
1.252g/cm³
Exact Mass
164.05900
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The molecular formula is C8H8N2O2.
When was 1,2-Dihydro-5-methoxy-3H-indazol-3-one first created on PubChem?
It was first created on October 26, 2006.
What is the IUPAC name of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The IUPAC name is 5-methoxy-1,2-dihydroindazol-3-one.
What is the InChIKey of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The InChIKey is JVIODNHCPBUTPK-UHFFFAOYSA-N.
What is the Canonical SMILES of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The Canonical SMILES is COC1=CC2=C(C=C1)NNC2=O.
What is the CAS number of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The CAS number is 99719-37-6.
What is the XLogP3-AA value of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The XLogP3-AA value is 1.1.
How many hydrogen bond donor counts does 1,2-Dihydro-5-methoxy-3H-indazol-3-one have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 1,2-Dihydro-5-methoxy-3H-indazol-3-one?
The topological polar surface area is 50.4 Ų.
Is 1,2-Dihydro-5-methoxy-3H-indazol-3-one a canonicalized compound?
Yes, the compound is canonicalized.
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