AD00997
693248-53-2 | 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD00997
ChemicalName
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber
693248-53-2
MolecularFormula
C6H8O3
MolecularWeight
128.1259
MdlNumber
MFCD13193581
Smiles
OC(=O)C1C2C1COC2
Complexity
144
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
2
Xlogp3
-0.3
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CatalogNumber: AD00997
ChemicalName: 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber: 693248-53-2
MolecularFormula: C6H8O3
MolecularWeight: 128.1259
MdlNumber: MFCD13193581
Smiles: OC(=O)C1C2C1COC2
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 2
Xlogp3: -0.3
CatalogNumber:
AD00997
ChemicalName:
3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
CasNumber:
693248-53-2
MolecularFormula:
C6H8O3
MolecularWeight:
128.1259
MdlNumber:
MFCD13193581
Smiles:
OC(=O)C1C2C1COC2
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
2
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1COCC[C@@H]1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1COCC[C@@H]1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1=NC(=O)/C(=C/2CCNC(=O)c3c2c2ccccc2[nH]3)/N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1=NC(=O)/C(=C/2CCNC(=O)c3c2c2ccccc2[nH]3)/N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AD01006
ChemicalName: 5-Bromo-2-methylbenzenesulfonyl chloride
CasNumber: 69321-56-8
MolecularFormula: C7H6BrClO2S
MolecularWeight: 269.5433
MdlNumber: MFCD06655596
Smiles: Brc1ccc(c(c1)S(=O)(=O)Cl)C
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AD01006
ChemicalName:
5-Bromo-2-methylbenzenesulfonyl chloride
CasNumber:
69321-56-8
MolecularFormula:
C7H6BrClO2S
MolecularWeight:
269.5433
MdlNumber:
MFCD06655596
Smiles:
Brc1ccc(c(c1)S(=O)(=O)Cl)C
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3