AH98971
90812-66-1 | Benzoic acid, 4-(carboxymethoxy)-, 1-methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH98971
ChemicalName
Benzoic acid, 4-(carboxymethoxy)-, 1-methyl ester
CasNumber
90812-66-1
MolecularFormula
C10H10O5
MolecularWeight
210.1834
MdlNumber
MFCD09037211
Smiles
COC(=O)c1ccc(cc1)OCC(=O)O
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.9
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CatalogNumber: AH98971
ChemicalName: Benzoic acid, 4-(carboxymethoxy)-, 1-methyl ester
CasNumber: 90812-66-1
MolecularFormula: C10H10O5
MolecularWeight: 210.1834
MdlNumber: MFCD09037211
Smiles: COC(=O)c1ccc(cc1)OCC(=O)O
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AH98971
ChemicalName:
Benzoic acid, 4-(carboxymethoxy)-, 1-methyl ester
CasNumber:
90812-66-1
MolecularFormula:
C10H10O5
MolecularWeight:
210.1834
MdlNumber:
MFCD09037211
Smiles:
COC(=O)c1ccc(cc1)OCC(=O)O
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: ClCCC(OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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Smiles:
ClCCC(OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NNc1nccc(n1)N1CCOCC1
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Smiles:
NNc1nccc(n1)N1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: CNc1cccc(c1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CNc1cccc(c1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__