CAS
99066-80-5 Purity
>98
99066-80-5 Purity
>98
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Acetamide,N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS
99068-59-4
Catalog Number
ACM99068594
Category
Other Products
Molecular Weight
208.2139
Molecular Formula
C10H12N2O3
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Specification
Synonyms
TimTec1_007023, Oprea1_069998, Oprea1_873621, BAS 03213139, MolPort-001-989-786, HMS1553P05, ZINC04245433, CID3146107, N-(7-Amino-2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide, 99068-59-4
IUPAC Name
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Canonical SMILES
CC(=O)NC1=CC2=C(C=C1N)OCCO2
InChI Key
LJXBBVIIWHUUSY-UHFFFAOYSA-N
Boiling Point
436.2ºC at 760mmHg
Flash Point
217.6ºC
Density
1.354g/cm³
Exact Mass
208.08500
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Acetamide,N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-?
The molecular formula is C10H12N2O3.
What is the molecular weight of Acetamide,N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)?
The molecular weight is 208.21 g/mol.
What is the IUPAC name of Acetamide,N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)?
The IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the InChI of Acetamide,N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)?
The InChI is InChI=1S/C10H12N2O3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3,11H2,1H3,(H,12,13).
How many hydrogen bond donor counts does Acetamide,N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)- have?
It has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of Acetamide, N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)?
The XLogP3-AA value is 0.1.
How many hydrogen bond acceptor counts does Acetamide, N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl) have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Acetamide, N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)?
The topological polar surface area is 73.6 Ų.
How many rotatable bond counts does Acetamide, N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl) have?
It has 1 rotatable bond count.
Is Acetamide, N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl) a canonicalized compound?
Yes, it is a canonicalized compound.
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