AB25728
247128-20-7 | 2-Hydroxymethyl-1h-benzoimidazole-5-carboxylic acid hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB25728
ChemicalName
2-Hydroxymethyl-1h-benzoimidazole-5-carboxylic acid hydrochloride
CasNumber
247128-20-7
MolecularFormula
C9H8N2O3
MolecularWeight
192.17141999999998
MdlNumber
MFCD00781818
Smiles
OCc1nc2c([nH]1)cc(cc2)C(=O)O
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AB25728
ChemicalName: 2-Hydroxymethyl-1h-benzoimidazole-5-carboxylic acid hydrochloride
CasNumber: 247128-20-7
MolecularFormula: C9H8N2O3
MolecularWeight: 192.17141999999998
MdlNumber: MFCD00781818
Smiles: OCc1nc2c([nH]1)cc(cc2)C(=O)O
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB25728
ChemicalName:
2-Hydroxymethyl-1h-benzoimidazole-5-carboxylic acid hydrochloride
CasNumber:
247128-20-7
MolecularFormula:
C9H8N2O3
MolecularWeight:
192.17141999999998
MdlNumber:
MFCD00781818
Smiles:
OCc1nc2c([nH]1)cc(cc2)C(=O)O
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CNCC(=O)N1CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CNCC(=O)N1CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB25730
ChemicalName: Fmoc-dap(dde)-oh
CasNumber: 247127-51-1
MolecularFormula: C28H30N2O6
MolecularWeight: 490.5476
MdlNumber: MFCD01631974
Smiles: O=C(N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: 916
Covalently-bondedUnitCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 8
Xlogp3: 3.6
CatalogNumber:
AB25730
ChemicalName:
Fmoc-dap(dde)-oh
CasNumber:
247127-51-1
MolecularFormula:
C28H30N2O6
MolecularWeight:
490.5476
MdlNumber:
MFCD01631974
Smiles:
O=C(N[C@H](C(=O)O)CNC(=C1C(=O)CC(CC1=O)(C)C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
916
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
8
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=C(C=C6C(C)C)C(C)C)C(C)C)O)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC3=CC=CC=C3C(=C2O)C4=C(C(=CC5=CC=CC=C54)C6=C(C=C(C=C6C(C)C)C(C)C)C(C)C)O)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__