AD37901
112-79-8 | Elaidic acid
Manufacturer: A2B Chem
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CatalogNumber
AD37901
ChemicalName
Elaidic acid
CasNumber
112-79-8
MolecularFormula
C18H34O2
MolecularWeight
282.4614
MdlNumber
MFCD00063954
Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)O
NscNumber
26988
Complexity
234
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
15
Xlogp3
6.5
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CatalogNumber: AD37901
ChemicalName: Elaidic acid
CasNumber: 112-79-8
MolecularFormula: C18H34O2
MolecularWeight: 282.4614
MdlNumber: MFCD00063954
Smiles: CCCCCCCC/C=C/CCCCCCCC(=O)O
NscNumber: 26988
Complexity: 234
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 15
Xlogp3: 6.5
CatalogNumber:
AD37901
ChemicalName:
Elaidic acid
CasNumber:
112-79-8
MolecularFormula:
C18H34O2
MolecularWeight:
282.4614
MdlNumber:
MFCD00063954
Smiles:
CCCCCCCC/C=C/CCCCCCCC(=O)O
NscNumber:
26988
Complexity:
234
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
15
Xlogp3:
6.5
CatalogNumber: AD37906
ChemicalName: (1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
CasNumber: 113451-59-5
MolecularFormula: C10H18N2O2
MolecularWeight: 198.2621
MdlNumber: MFCD01569250
Smiles: O=C(N1C[C@@H]2C[C@H]1CN2)OC(C)(C)C
NscNumber: __
Complexity: 247
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AD37906
ChemicalName:
(1S,4S)-2-Boc-2,5-diazabicyclo[2.2.1]heptane
CasNumber:
113451-59-5
MolecularFormula:
C10H18N2O2
MolecularWeight:
198.2621
MdlNumber:
MFCD01569250
Smiles:
O=C(N1C[C@@H]2C[C@H]1CN2)OC(C)(C)C
NscNumber:
__
Complexity:
247
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H](Cc1ncc(nc1)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H](Cc1ncc(nc1)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__