AB05252
204254-96-6 | Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB05252
ChemicalName
Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
CasNumber
204254-96-6
MolecularFormula
C14H22O4
MolecularWeight
254.3221
MdlNumber
MFCD08063944
Smiles
CCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)O2)OC(CC)CC
Complexity
333
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
7
Xlogp3
2.4
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CatalogNumber: AB05252
ChemicalName: Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
CasNumber: 204254-96-6
MolecularFormula: C14H22O4
MolecularWeight: 254.3221
MdlNumber: MFCD08063944
Smiles: CCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)O2)OC(CC)CC
Complexity: 333
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 7
Xlogp3: 2.4
CatalogNumber:
AB05252
ChemicalName:
Ethyl (1S,5R,6S)-5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
CasNumber:
204254-96-6
MolecularFormula:
C14H22O4
MolecularWeight:
254.3221
MdlNumber:
MFCD08063944
Smiles:
CCOC(=O)C1=C[C@H]([C@@H]2[C@H](C1)O2)OC(CC)CC
Complexity:
333
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
7
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(cc1C)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(cc1C)N
Complexity:
__
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__
DefinedAtomStereocenterCount:
__
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__
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__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: OC(=O)c1cc(N)c(cc1[N+](=O)[O-])C
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1cc(N)c(cc1[N+](=O)[O-])C
Complexity:
__
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Xlogp3:
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CatalogNumber: AB05256
ChemicalName: Fmoc-d-glu-oall
CasNumber: 204251-86-5
MolecularFormula: C23H23NO6
MolecularWeight: 409.4318
MdlNumber: MFCD01074691
Smiles: C=CCOC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CCC(=O)O
Complexity: 613
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 6
RotatableBondCount: 11
Xlogp3: 3.5
CatalogNumber:
AB05256
ChemicalName:
Fmoc-d-glu-oall
CasNumber:
204251-86-5
MolecularFormula:
C23H23NO6
MolecularWeight:
409.4318
MdlNumber:
MFCD01074691
Smiles:
C=CCOC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CCC(=O)O
Complexity:
613
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
6
RotatableBondCount:
11
Xlogp3:
3.5