AG69834
60547-92-4 | 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG69834
ChemicalName
4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid
CasNumber
60547-92-4
MolecularFormula
C15H13NO6
MolecularWeight
303.26682
MdlNumber
MFCD04114356
Smiles
COc1cc(C(=O)O)c(cc1OCc1ccccc1)N(=O)=O
Complexity
390
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AG69834
ChemicalName: 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid
CasNumber: 60547-92-4
MolecularFormula: C15H13NO6
MolecularWeight: 303.26682
MdlNumber: MFCD04114356
Smiles: COc1cc(C(=O)O)c(cc1OCc1ccccc1)N(=O)=O
Complexity: 390
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AG69834
ChemicalName:
4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid
CasNumber:
60547-92-4
MolecularFormula:
C15H13NO6
MolecularWeight:
303.26682
MdlNumber:
MFCD04114356
Smiles:
COc1cc(C(=O)O)c(cc1OCc1ccccc1)N(=O)=O
Complexity:
390
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)[C@H](Cc1cccc(c1)N)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
OC(=O)[C@H](Cc1cccc(c1)N)N
Complexity:
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RotatableBondCount:
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Smiles: C1=CC(=CC=C1CC(CC(=O)O)N)O
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Smiles:
C1=CC(=CC=C1CC(CC(=O)O)N)O
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
Complexity: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__