AB78373
111-16-0 | Pimelic acid
Manufacturer: A2B Chem
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CatalogNumber
AB78373
ChemicalName
Pimelic acid
CasNumber
111-16-0
MolecularFormula
C7H12O4
MolecularWeight
160.1678
MdlNumber
MFCD00004425
Smiles
OC(=O)CCCCCC(=O)O
NscNumber
30112
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
0.5
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CatalogNumber: AB78373
ChemicalName: Pimelic acid
CasNumber: 111-16-0
MolecularFormula: C7H12O4
MolecularWeight: 160.1678
MdlNumber: MFCD00004425
Smiles: OC(=O)CCCCCC(=O)O
NscNumber: 30112
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 0.5
CatalogNumber:
AB78373
ChemicalName:
Pimelic acid
CasNumber:
111-16-0
MolecularFormula:
C7H12O4
MolecularWeight:
160.1678
MdlNumber:
MFCD00004425
Smiles:
OC(=O)CCCCCC(=O)O
NscNumber:
30112
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
0.5
CatalogNumber: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
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Complexity:
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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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Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H](C(=O)O)Cc1ccc(cc1)I
NscNumber: __
Complexity: 179
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](C(=O)O)Cc1ccc(cc1)I
NscNumber:
__
Complexity:
179
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCCCN1C(=S)S.CC1CCCCN1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCCCN1C(=S)S.CC1CCCCN1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__