AA24036
1194-98-5 | 2,5-Dihydroxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA24036
ChemicalName
2,5-Dihydroxybenzaldehyde
CasNumber
1194-98-5
MolecularFormula
C7H6O3
MolecularWeight
138.1207
MdlNumber
MFCD00003333
Smiles
O=Cc1cc(O)ccc1O
NscNumber
72387
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AA24036
ChemicalName: 2,5-Dihydroxybenzaldehyde
CasNumber: 1194-98-5
MolecularFormula: C7H6O3
MolecularWeight: 138.1207
MdlNumber: MFCD00003333
Smiles: O=Cc1cc(O)ccc1O
NscNumber: 72387
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AA24036
ChemicalName:
2,5-Dihydroxybenzaldehyde
CasNumber:
1194-98-5
MolecularFormula:
C7H6O3
MolecularWeight:
138.1207
MdlNumber:
MFCD00003333
Smiles:
O=Cc1cc(O)ccc1O
NscNumber:
72387
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc([nH]1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc([nH]1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA24038
ChemicalName: methyl 4-chloro-1H-pyrrole-2-carboxylate
CasNumber: 1194-96-3
MolecularFormula: C6H6ClNO2
MolecularWeight: 159.5703
MdlNumber: MFCD11176523
Smiles: COC(=O)c1cc(c[nH]1)Cl
NscNumber: __
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AA24038
ChemicalName:
methyl 4-chloro-1H-pyrrole-2-carboxylate
CasNumber:
1194-96-3
MolecularFormula:
C6H6ClNO2
MolecularWeight:
159.5703
MdlNumber:
MFCD11176523
Smiles:
COC(=O)c1cc(c[nH]1)Cl
NscNumber:
__
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](c1cscc1)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](c1cscc1)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__