AG25316
4653-08-1 | 3-(2-Thenoyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AG25316
ChemicalName
3-(2-Thenoyl)propionic acid
CasNumber
4653-08-1
MolecularFormula
C8H8O3S
MolecularWeight
184.2123
MdlNumber
MFCD00022502
Smiles
OC(=O)CCC(=O)c1cccs1
Complexity
191
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AG25316
ChemicalName: 3-(2-Thenoyl)propionic acid
CasNumber: 4653-08-1
MolecularFormula: C8H8O3S
MolecularWeight: 184.2123
MdlNumber: MFCD00022502
Smiles: OC(=O)CCC(=O)c1cccs1
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AG25316
ChemicalName:
3-(2-Thenoyl)propionic acid
CasNumber:
4653-08-1
MolecularFormula:
C8H8O3S
MolecularWeight:
184.2123
MdlNumber:
MFCD00022502
Smiles:
OC(=O)CCC(=O)c1cccs1
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.7
CatalogNumber: AG25317
ChemicalName: 1-Methoxy-4-nitronaphthalene
CasNumber: 4900-63-4
MolecularFormula: C11H9NO3
MolecularWeight: 203.1941
MdlNumber: MFCD00003926
Smiles: COc1ccc(c2c1cccc2)[N+](=O)[O-]
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.7
CatalogNumber:
AG25317
ChemicalName:
1-Methoxy-4-nitronaphthalene
CasNumber:
4900-63-4
MolecularFormula:
C11H9NO3
MolecularWeight:
203.1941
MdlNumber:
MFCD00003926
Smiles:
COc1ccc(c2c1cccc2)[N+](=O)[O-]
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG25319
ChemicalName: Norcamphor
CasNumber: 497-38-1
MolecularFormula: C7H10O
MolecularWeight: 110.1537
MdlNumber: MFCD00074823
Smiles: O=C1CC2CC1CC2
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AG25319
ChemicalName:
Norcamphor
CasNumber:
497-38-1
MolecularFormula:
C7H10O
MolecularWeight:
110.1537
MdlNumber:
MFCD00074823
Smiles:
O=C1CC2CC1CC2
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1