AE24551
1057107-39-7 | 4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE24551
ChemicalName
4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid
CasNumber
1057107-39-7
MolecularFormula
C12H12O4
MolecularWeight
220.2213
MdlNumber
MFCD22393665
Smiles
COC(=O)C1CC1c1ccc(cc1)C(=O)O
Complexity
291
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
2
Xlogp3
1.5
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CatalogNumber: AE24551
ChemicalName: 4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid
CasNumber: 1057107-39-7
MolecularFormula: C12H12O4
MolecularWeight: 220.2213
MdlNumber: MFCD22393665
Smiles: COC(=O)C1CC1c1ccc(cc1)C(=O)O
Complexity: 291
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.5
CatalogNumber:
AE24551
ChemicalName:
4-(2-(Methoxycarbonyl)cyclopropyl)benzoic acid
CasNumber:
1057107-39-7
MolecularFormula:
C12H12O4
MolecularWeight:
220.2213
MdlNumber:
MFCD22393665
Smiles:
COC(=O)C1CC1c1ccc(cc1)C(=O)O
Complexity:
291
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N1CCN(CC1)c1cccc2c1cn[nH]2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
N1CCN(CC1)c1cccc2c1cn[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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MolecularFormula: __
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Smiles: CCOc1n[nH]cc1I
Complexity: __
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Smiles:
CCOc1n[nH]cc1I
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
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Smiles: Brc1ncc2n(c1)cc(n2)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1ncc2n(c1)cc(n2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__