AH81723
934-00-9 | 3-Methoxycatechol
Manufacturer: A2B Chem
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CatalogNumber
AH81723
ChemicalName
3-Methoxycatechol
CasNumber
934-00-9
MolecularFormula
C26H31O7P
MolecularWeight
486.4939
MdlNumber
MFCD00002191
Smiles
O[C@@H](C(COCc1ccccc1)(O)C)COP(=O)(OCc1ccccc1)OCc1ccccc1
NscNumber
66525
Complexity
105
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AH81723
ChemicalName: 3-Methoxycatechol
CasNumber: 934-00-9
MolecularFormula: C26H31O7P
MolecularWeight: 486.4939
MdlNumber: MFCD00002191
Smiles: O[C@@H](C(COCc1ccccc1)(O)C)COP(=O)(OCc1ccccc1)OCc1ccccc1
NscNumber: 66525
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AH81723
ChemicalName:
3-Methoxycatechol
CasNumber:
934-00-9
MolecularFormula:
C26H31O7P
MolecularWeight:
486.4939
MdlNumber:
MFCD00002191
Smiles:
O[C@@H](C(COCc1ccccc1)(O)C)COP(=O)(OCc1ccccc1)OCc1ccccc1
NscNumber:
66525
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: AH81724
ChemicalName: 6-Cyano-1-tetralone
CasNumber: 90401-84-6
MolecularFormula: C11H9NO
MolecularWeight: 171.1953
MdlNumber: MFCD02179289
Smiles: N#Cc1ccc2c(c1)CCCC2=O
NscNumber: __
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AH81724
ChemicalName:
6-Cyano-1-tetralone
CasNumber:
90401-84-6
MolecularFormula:
C11H9NO
MolecularWeight:
171.1953
MdlNumber:
MFCD02179289
Smiles:
N#Cc1ccc2c(c1)CCCC2=O
NscNumber:
__
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O.OCC(C(C(C(C=O)O)O)O)O.[Na]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O.OCC(C(C(C(C=O)O)O)O)O.[Na]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnc(c(c1)C(=O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnc(c(c1)C(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__