AB53953
479553-01-0 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB53953
ChemicalName
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
CasNumber
479553-01-0
MolecularFormula
C8H6N2O2
MolecularWeight
162.1454
MdlNumber
MFCD08272236
Smiles
OC(=O)c1ccnc2c1cc[nH]2
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB53953
ChemicalName: 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
CasNumber: 479553-01-0
MolecularFormula: C8H6N2O2
MolecularWeight: 162.1454
MdlNumber: MFCD08272236
Smiles: OC(=O)c1ccnc2c1cc[nH]2
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB53953
ChemicalName:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid
CasNumber:
479553-01-0
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.1454
MdlNumber:
MFCD08272236
Smiles:
OC(=O)c1ccnc2c1cc[nH]2
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(c1ccccc1)(c1ccccc1)[C@@H]1OC(O[C@H]1C(c1ccccc1)(c1ccccc1)O)(C)C
Complexity: 574
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(c1ccccc1)(c1ccccc1)[C@@H]1OC(O[C@H]1C(c1ccccc1)(c1ccccc1)O)(C)C
Complexity:
574
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[C@@H](CC(=O)OC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H](CC(=O)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53956
ChemicalName: (+/-)-Trans-1,2-cyclopentanediol
CasNumber: 5057-99-8
MolecularFormula: C5H10O2
MolecularWeight: 102.1317
MdlNumber: MFCD00082582
Smiles: O[C@@H]1CCC[C@H]1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB53956
ChemicalName:
(+/-)-Trans-1,2-cyclopentanediol
CasNumber:
5057-99-8
MolecularFormula:
C5H10O2
MolecularWeight:
102.1317
MdlNumber:
MFCD00082582
Smiles:
O[C@@H]1CCC[C@H]1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__