AG68772
57351-00-5 | (6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG68772
ChemicalName
(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetic acid
CasNumber
57351-00-5
MolecularFormula
C13H16O3
MolecularWeight
220.2643
MdlNumber
MFCD04114914
Smiles
COc1ccc2c(c1)CCC(C2)CC(=O)O
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AG68772
ChemicalName: (6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetic acid
CasNumber: 57351-00-5
MolecularFormula: C13H16O3
MolecularWeight: 220.2643
MdlNumber: MFCD04114914
Smiles: COc1ccc2c(c1)CCC(C2)CC(=O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AG68772
ChemicalName:
(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetic acid
CasNumber:
57351-00-5
MolecularFormula:
C13H16O3
MolecularWeight:
220.2643
MdlNumber:
MFCD04114914
Smiles:
COc1ccc2c(c1)CCC(C2)CC(=O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
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Smiles: C(CCN)CC(C(=O)O)NC(=O)C(CC(=O)O)N
Complexity: __
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Smiles:
C(CCN)CC(C(=O)O)NC(=O)C(CC(=O)O)N
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Smiles: C1CC(N(C1)C(=O)CNC(=O)C(CCC(=O)N)N)C(=O)O
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Smiles:
C1CC(N(C1)C(=O)CNC(=O)C(CCC(=O)N)N)C(=O)O
Complexity:
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HeavyAtomCount:
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Smiles: CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)C
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__