Products for Research Use Only
RegisterLogin

6-Aminophthalide

CAT: 0013-GTR19250970-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19250970-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
6-Aminophthalide
CAS Number
57319-65-0
Smiles
NC1=CC2=C (COC2=O) C=C1
Molecular Formula
C8H7NO2
Molecular Weight
149.149
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Aminophthalide

6-Amino-1,3-dihydroisobenzofuran-1-one is a member of 2-benzofurans.

CAS Number57319-65-0
PubChem CID93631
IUPAC Name6-amino-3H-2-benzofuran-1-one
Molecular FormulaC8H7NO2
Molecular Weight149.15
XLogP0.1
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity181
SMILES
C1C2=C(C=C(C=C2)N)C(=O)O1
InChI
InChI=1S/C8H7NO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4,9H2
InChIKey
ZIJZDNKZJZUROE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Aminophthalide
CAS: 57319-65-0
CID: 93631
Formula: C8H7NO2
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass149.047678466
Monoisotopic Mass149.047678466
Topological Polar Surface Area52.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19230074-016,6′-Dihydroxythiobinupharidine
GTR19228293-016,6''-Bigenkwanin
GTR19218144-01Glycyrrhizin-6′,6′′-dimethylester
GTR18904143-01TRAP-6 (2-6)
GTR19235412-01Trehalose 6,6'-dimycolate
GTR19235401-01Trehalose-6,6'-dibehenate
GTR19243368-016,6′-Trehalose Dioleate
GTR19066708-01TRAP-6 (2-6)
GTR192695696-Ethoxydihydrochelerythrine (6-Ethoxychelerythrine)
GTR19259723-01TRAP-6 (2-6)

Alternative Products

CatalogName
HCA31965-016-Aminophthalide
OR927089-015-Aminophthalide
OR925685-014-Aminophthalide
sc-257002A6,6,6-Trifluoronorleucine
GC4378-5mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
GC3568-5mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
BICL2357-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
AAA76464-016,6,6-Trifluorohexanoic acid
H211306Hexanenitrile-6,6,6-d3

Popular Products