AB44096
5596-17-8 | 2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Manufacturer: A2B Chem
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CatalogNumber
AB44096
ChemicalName
2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CasNumber
5596-17-8
MolecularFormula
C8H7NO4
MolecularWeight
181.1455
MdlNumber
MFCD00180244
Smiles
ON1C(=O)C2C(C1=O)C1OC2C=C1
NscNumber
245380
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
4
Xlogp3
-1.3
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CatalogNumber: AB44096
ChemicalName: 2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CasNumber: 5596-17-8
MolecularFormula: C8H7NO4
MolecularWeight: 181.1455
MdlNumber: MFCD00180244
Smiles: ON1C(=O)C2C(C1=O)C1OC2C=C1
NscNumber: 245380
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 4
Xlogp3: -1.3
CatalogNumber:
AB44096
ChemicalName:
2-Hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CasNumber:
5596-17-8
MolecularFormula:
C8H7NO4
MolecularWeight:
181.1455
MdlNumber:
MFCD00180244
Smiles:
ON1C(=O)C2C(C1=O)C1OC2C=C1
NscNumber:
245380
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
4
Xlogp3:
-1.3
CatalogNumber: AB44097
ChemicalName: 2-Amino-5-bromopyridin-3-ol
CasNumber: 39903-01-0
MolecularFormula: C5H5BrN2O
MolecularWeight: 189.01
MdlNumber: MFCD09744143
Smiles: Brc1cnc(c(c1)O)N
NscNumber: __
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AB44097
ChemicalName:
2-Amino-5-bromopyridin-3-ol
CasNumber:
39903-01-0
MolecularFormula:
C5H5BrN2O
MolecularWeight:
189.01
MdlNumber:
MFCD09744143
Smiles:
Brc1cnc(c(c1)O)N
NscNumber:
__
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1O)C(=O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1O)C(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1O)C=O
NscNumber: __
Complexity: 135
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1O)C=O
NscNumber:
__
Complexity:
135
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4