AB53059
86770-31-2 | 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB53059
ChemicalName
3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
CasNumber
86770-31-2
MolecularFormula
C14H21NO4
MolecularWeight
267.3208
MdlNumber
MFCD02179394
Smiles
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)OC(C)(C)C
Complexity
348
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.9
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CatalogNumber: AB53059
ChemicalName: 3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
CasNumber: 86770-31-2
MolecularFormula: C14H21NO4
MolecularWeight: 267.3208
MdlNumber: MFCD02179394
Smiles: CCOC(=O)c1c(C)[nH]c(c1C)C(=O)OC(C)(C)C
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.9
CatalogNumber:
AB53059
ChemicalName:
3,5-Dimethyl-1h-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
CasNumber:
86770-31-2
MolecularFormula:
C14H21NO4
MolecularWeight:
267.3208
MdlNumber:
MFCD02179394
Smiles:
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)OC(C)(C)C
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
Complexity: 392
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
Complexity:
392
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1ccc(c(c1)C)Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1ccc(c(c1)C)Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53062
ChemicalName: 4-Methoxybenzamidine hydrochloride
CasNumber: 51721-68-7
MolecularFormula: C8H11ClN2O
MolecularWeight: 186.6387
MdlNumber: MFCD00466114
Smiles: COc1ccc(cc1)C(=N)N.Cl
Complexity: 139
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB53062
ChemicalName:
4-Methoxybenzamidine hydrochloride
CasNumber:
51721-68-7
MolecularFormula:
C8H11ClN2O
MolecularWeight:
186.6387
MdlNumber:
MFCD00466114
Smiles:
COc1ccc(cc1)C(=N)N.Cl
Complexity:
139
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__