AB48908
64826-45-5 | 1,3-Dimethyl-2-oxo-2,3-dihydro-1h-benzoimidazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48908
ChemicalName
1,3-Dimethyl-2-oxo-2,3-dihydro-1h-benzoimidazole-5-carboxylic acid
CasNumber
64826-45-5
MolecularFormula
C10H10N2O3
MolecularWeight
206.198
MdlNumber
MFCD03721869
Smiles
OC(=O)c1ccc2c(c1)n(C)c(=O)n2C
Complexity
305
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AB48908
ChemicalName: 1,3-Dimethyl-2-oxo-2,3-dihydro-1h-benzoimidazole-5-carboxylic acid
CasNumber: 64826-45-5
MolecularFormula: C10H10N2O3
MolecularWeight: 206.198
MdlNumber: MFCD03721869
Smiles: OC(=O)c1ccc2c(c1)n(C)c(=O)n2C
Complexity: 305
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB48908
ChemicalName:
1,3-Dimethyl-2-oxo-2,3-dihydro-1h-benzoimidazole-5-carboxylic acid
CasNumber:
64826-45-5
MolecularFormula:
C10H10N2O3
MolecularWeight:
206.198
MdlNumber:
MFCD03721869
Smiles:
OC(=O)c1ccc2c(c1)n(C)c(=O)n2C
Complexity:
305
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AB48909
ChemicalName: 2-Hydroxy-3,4-dimethoxybenzoic acid
CasNumber: 5653-46-3
MolecularFormula: C9H10O5
MolecularWeight: 198.1727
MdlNumber: MFCD00016498
Smiles: COc1c(OC)ccc(c1O)C(=O)O
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB48909
ChemicalName:
2-Hydroxy-3,4-dimethoxybenzoic acid
CasNumber:
5653-46-3
MolecularFormula:
C9H10O5
MolecularWeight:
198.1727
MdlNumber:
MFCD00016498
Smiles:
COc1c(OC)ccc(c1O)C(=O)O
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)c1ccc2c(c1)c1cc(ccc1[nH]2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
c1ccc(cc1)c1ccc2c(c1)c1cc(ccc1[nH]2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48911
ChemicalName: (R)-2-Phenylpyrrolidine
CasNumber: 56523-47-8
MolecularFormula: C10H13N
MolecularWeight: 147.2169
MdlNumber: MFCD06762513
Smiles: C1CN[C@H](C1)c1ccccc1
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.8
CatalogNumber:
AB48911
ChemicalName:
(R)-2-Phenylpyrrolidine
CasNumber:
56523-47-8
MolecularFormula:
C10H13N
MolecularWeight:
147.2169
MdlNumber:
MFCD06762513
Smiles:
C1CN[C@H](C1)c1ccccc1
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.8