AB52293
6302-02-9 | 1-Pyridin-2-yl-propan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB52293
ChemicalName
1-Pyridin-2-yl-propan-2-one
CasNumber
6302-02-9
MolecularFormula
C8H9NO
MolecularWeight
135.16316000000003
MdlNumber
MFCD00092717
Smiles
CC(=O)Cc1ccccn1
NscNumber
42754
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
0.6
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CatalogNumber: AB52293
ChemicalName: 1-Pyridin-2-yl-propan-2-one
CasNumber: 6302-02-9
MolecularFormula: C8H9NO
MolecularWeight: 135.16316000000003
MdlNumber: MFCD00092717
Smiles: CC(=O)Cc1ccccn1
NscNumber: 42754
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 0.6
CatalogNumber:
AB52293
ChemicalName:
1-Pyridin-2-yl-propan-2-one
CasNumber:
6302-02-9
MolecularFormula:
C8H9NO
MolecularWeight:
135.16316000000003
MdlNumber:
MFCD00092717
Smiles:
CC(=O)Cc1ccccn1
NscNumber:
42754
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC2(C1)CCN2)OC(C)(C)C.O=C(N1CC2(C1)CCN2)OC(C)(C)C.OC(=O)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC2(C1)CCN2)OC(C)(C)C.O=C(N1CC2(C1)CCN2)OC(C)(C)C.OC(=O)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52295
ChemicalName: 1,2-Cyclohexylenedinitrilotetraacetic acid
CasNumber: 482-54-2
MolecularFormula: C14H22N2O8
MolecularWeight: 346.3331
MdlNumber: MFCD00066429
Smiles: OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O
NscNumber: __
Complexity: 419
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 10
RotatableBondCount: 10
Xlogp3: -4.5
CatalogNumber:
AB52295
ChemicalName:
1,2-Cyclohexylenedinitrilotetraacetic acid
CasNumber:
482-54-2
MolecularFormula:
C14H22N2O8
MolecularWeight:
346.3331
MdlNumber:
MFCD00066429
Smiles:
OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O
NscNumber:
__
Complexity:
419
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
10
RotatableBondCount:
10
Xlogp3:
-4.5
CatalogNumber: AB52297
ChemicalName: Boc-D-Dab-OH
CasNumber: 80445-78-9
MolecularFormula: C9H18N2O4
MolecularWeight: 218.2502
MdlNumber: MFCD00798622
Smiles: NCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
NscNumber: __
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
Xlogp3: -2.3
CatalogNumber:
AB52297
ChemicalName:
Boc-D-Dab-OH
CasNumber:
80445-78-9
MolecularFormula:
C9H18N2O4
MolecularWeight:
218.2502
MdlNumber:
MFCD00798622
Smiles:
NCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
Xlogp3:
-2.3