AF84430
34529-06-1 | Dimethyl 3-aminophthalate
Manufacturer: A2B Chem
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CatalogNumber
AF84430
ChemicalName
Dimethyl 3-aminophthalate
CasNumber
34529-06-1
MolecularFormula
C10H11NO4
MolecularWeight
209.1986
MdlNumber
MFCD09029586
Smiles
COC(=O)c1c(N)cccc1C(=O)OC
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AF84430
ChemicalName: Dimethyl 3-aminophthalate
CasNumber: 34529-06-1
MolecularFormula: C10H11NO4
MolecularWeight: 209.1986
MdlNumber: MFCD09029586
Smiles: COC(=O)c1c(N)cccc1C(=O)OC
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AF84430
ChemicalName:
Dimethyl 3-aminophthalate
CasNumber:
34529-06-1
MolecularFormula:
C10H11NO4
MolecularWeight:
209.1986
MdlNumber:
MFCD09029586
Smiles:
COC(=O)c1c(N)cccc1C(=O)OC
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
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Smiles: OCCc1ccc(cc1)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
OCCc1ccc(cc1)c1ccccc1
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC1=C(C(=CC(=C1)Br)C(=O)N)O
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Smiles:
CC1=C(C(=CC(=C1)Br)C(=O)N)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COC(=O)C[C@@](C(=O)O[C@@H]1C(=C[C@]23[C@@H]1c1cc4OCOc4cc1CCN3CCC2)OC)(CCC(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C[C@@](C(=O)O[C@@H]1C(=C[C@]23[C@@H]1c1cc4OCOc4cc1CCN3CCC2)OC)(CCC(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__