AG17708
552-63-6 | DL-Tropic acid
Manufacturer: A2B Chem
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CatalogNumber
AG17708
ChemicalName
DL-Tropic acid
CasNumber
552-63-6
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00004255
Smiles
OCC(c1ccccc1)C(=O)O
NscNumber
20990
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AG17708
ChemicalName: DL-Tropic acid
CasNumber: 552-63-6
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00004255
Smiles: OCC(c1ccccc1)C(=O)O
NscNumber: 20990
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AG17708
ChemicalName:
DL-Tropic acid
CasNumber:
552-63-6
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00004255
Smiles:
OCC(c1ccccc1)C(=O)O
NscNumber:
20990
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@@H]1CCCC[C@@H]1N)OCc1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@@H]1CCCC[C@@H]1N)OCc1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AG17711
ChemicalName: 5-Amino-3-bromo-2-methoxypyridine
CasNumber: 53242-18-5
MolecularFormula: C6H7BrN2O
MolecularWeight: 203.0366
MdlNumber: MFCD06659518
Smiles: COc1ncc(cc1Br)N
NscNumber: __
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AG17711
ChemicalName:
5-Amino-3-bromo-2-methoxypyridine
CasNumber:
53242-18-5
MolecularFormula:
C6H7BrN2O
MolecularWeight:
203.0366
MdlNumber:
MFCD06659518
Smiles:
COc1ncc(cc1Br)N
NscNumber:
__
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CN(C1)C(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: 321
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(C1)C(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
321
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.1