AD21936
227783-08-6 | (1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD21936
ChemicalName
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylic acid
CasNumber
227783-08-6
MolecularFormula
C10H16O4
MolecularWeight
200.23164000000006
MdlNumber
MFCD23701519
Smiles
CCOC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O
Complexity
224
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.4
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CatalogNumber: AD21936
ChemicalName: (1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylic acid
CasNumber: 227783-08-6
MolecularFormula: C10H16O4
MolecularWeight: 200.23164000000006
MdlNumber: MFCD23701519
Smiles: CCOC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O
Complexity: 224
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AD21936
ChemicalName:
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylic acid
CasNumber:
227783-08-6
MolecularFormula:
C10H16O4
MolecularWeight:
200.23164000000006
MdlNumber:
MFCD23701519
Smiles:
CCOC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O
Complexity:
224
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: OC1CCC(C1)Br
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
OC1CCC(C1)Br
Complexity:
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HeavyAtomCount:
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Smiles: ClCn1nnc2c(c1=O)cccc2
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Smiles:
ClCn1nnc2c(c1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: Cc1ccc(cc1)S(=O)(=O)N1CCCC(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Cc1ccc(cc1)S(=O)(=O)N1CCCC(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__