AB59190
4594-78-9 | 2-(2-Cyanethyl)cyclohexanone
Manufacturer: A2B Chem
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CatalogNumber
AB59190
ChemicalName
2-(2-Cyanethyl)cyclohexanone
CasNumber
4594-78-9
MolecularFormula
C9H13NO
MolecularWeight
151.2056
MdlNumber
MFCD00013797
Smiles
N#CCCC1CCCCC1=O
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AB59190
ChemicalName: 2-(2-Cyanethyl)cyclohexanone
CasNumber: 4594-78-9
MolecularFormula: C9H13NO
MolecularWeight: 151.2056
MdlNumber: MFCD00013797
Smiles: N#CCCC1CCCCC1=O
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AB59190
ChemicalName:
2-(2-Cyanethyl)cyclohexanone
CasNumber:
4594-78-9
MolecularFormula:
C9H13NO
MolecularWeight:
151.2056
MdlNumber:
MFCD00013797
Smiles:
N#CCCC1CCCCC1=O
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: AB59191
ChemicalName: [(tert-Butoxycarbonyl)amino](pyridin-3-yl)acetic acid
CasNumber: 347187-29-5
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD02683173
Smiles: O=C(OC(C)(C)C)NC(c1cccnc1)C(=O)O
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AB59191
ChemicalName:
[(tert-Butoxycarbonyl)amino](pyridin-3-yl)acetic acid
CasNumber:
347187-29-5
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD02683173
Smiles:
O=C(OC(C)(C)C)NC(c1cccnc1)C(=O)O
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
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Smiles: O=C(OC(C)(C)C)NC(c1cscc1)C(=O)O
Complexity: __
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Smiles:
O=C(OC(C)(C)C)NC(c1cscc1)C(=O)O
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: OC(=O)C(c1ccc(cc1)Br)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)C(c1ccc(cc1)Br)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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