AG66823
6500-65-8 | 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
Manufacturer: A2B Chem
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CatalogNumber
AG66823
ChemicalName
2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
CasNumber
6500-65-8
MolecularFormula
C12H14O2
MolecularWeight
190.23836
MdlNumber
MFCD07369971
Smiles
COc1ccc2c(c1)CCCCC2=O
NscNumber
105616
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
2.5
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CatalogNumber: AG66823
ChemicalName: 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
CasNumber: 6500-65-8
MolecularFormula: C12H14O2
MolecularWeight: 190.23836
MdlNumber: MFCD07369971
Smiles: COc1ccc2c(c1)CCCCC2=O
NscNumber: 105616
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AG66823
ChemicalName:
2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one
CasNumber:
6500-65-8
MolecularFormula:
C12H14O2
MolecularWeight:
190.23836
MdlNumber:
MFCD07369971
Smiles:
COc1ccc2c(c1)CCCCC2=O
NscNumber:
105616
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1c2CCCCc2nc2c1CCC2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1c2CCCCc2nc2c1CCC2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG66825
ChemicalName: 4-Methyl-isatoic anhydride
CasNumber: 63480-11-5
MolecularFormula: C9H7NO3
MolecularWeight: 177.1568
MdlNumber: MFCD03426400
Smiles: Cc1ccc2c(c1)[nH]c(=O)oc2=O
NscNumber: __
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AG66825
ChemicalName:
4-Methyl-isatoic anhydride
CasNumber:
63480-11-5
MolecularFormula:
C9H7NO3
MolecularWeight:
177.1568
MdlNumber:
MFCD03426400
Smiles:
Cc1ccc2c(c1)[nH]c(=O)oc2=O
NscNumber:
__
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1ccc(cc1)CC(=O)O
NscNumber: __
Complexity: 261
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1ccc(cc1)CC(=O)O
NscNumber:
__
Complexity:
261
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3