AB51049
4591-55-3 | Dimethyl pyridine-3,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB51049
ChemicalName
Dimethyl pyridine-3,5-dicarboxylate
CasNumber
4591-55-3
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00518827
Smiles
COC(=O)c1cncc(c1)C(=O)OC
NscNumber
403260
Complexity
207
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
4
Xlogp3
0.6
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CatalogNumber: AB51049
ChemicalName: Dimethyl pyridine-3,5-dicarboxylate
CasNumber: 4591-55-3
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00518827
Smiles: COC(=O)c1cncc(c1)C(=O)OC
NscNumber: 403260
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 0.6
CatalogNumber:
AB51049
ChemicalName:
Dimethyl pyridine-3,5-dicarboxylate
CasNumber:
4591-55-3
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00518827
Smiles:
COC(=O)c1cncc(c1)C(=O)OC
NscNumber:
403260
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
0.6
CatalogNumber: AB51050
ChemicalName: Fmoc-(r)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber: 479064-92-1
MolecularFormula: C24H20ClNO4
MolecularWeight: 421.8729
MdlNumber: MFCD03428036
Smiles: OC(=O)C[C@H](c1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
NscNumber: __
Complexity: 584
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 4.7
CatalogNumber:
AB51050
ChemicalName:
Fmoc-(r)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber:
479064-92-1
MolecularFormula:
C24H20ClNO4
MolecularWeight:
421.8729
MdlNumber:
MFCD03428036
Smiles:
OC(=O)C[C@H](c1ccc(cc1)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
NscNumber:
__
Complexity:
584
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
4.7
CatalogNumber: AB51051
ChemicalName: 5-Bromo-3-iodo-1H-indazole
CasNumber: 459133-66-5
MolecularFormula: C7H4BrIN2
MolecularWeight: 322.9285
MdlNumber: MFCD07781637
Smiles: Brc1ccc2c(c1)c(I)n[nH]2
NscNumber: __
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AB51051
ChemicalName:
5-Bromo-3-iodo-1H-indazole
CasNumber:
459133-66-5
MolecularFormula:
C7H4BrIN2
MolecularWeight:
322.9285
MdlNumber:
MFCD07781637
Smiles:
Brc1ccc2c(c1)c(I)n[nH]2
NscNumber:
__
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AB51052
ChemicalName: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CasNumber: 458-37-7
MolecularFormula: C21H20O6
MolecularWeight: 368.3799
MdlNumber: MFCD00008365
Smiles: COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
NscNumber: __
Complexity: 507
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
RotatableBondCount: 8
Xlogp3: 3.2
CatalogNumber:
AB51052
ChemicalName:
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CasNumber:
458-37-7
MolecularFormula:
C21H20O6
MolecularWeight:
368.3799
MdlNumber:
MFCD00008365
Smiles:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
NscNumber:
__
Complexity:
507
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
RotatableBondCount:
8
Xlogp3:
3.2