AB64089
65564-05-8 | 3-[(Benzyloxycarbonyl)amino]-1-propanal
Manufacturer: A2B Chem
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CatalogNumber
AB64089
ChemicalName
3-[(Benzyloxycarbonyl)amino]-1-propanal
CasNumber
65564-05-8
MolecularFormula
C11H13NO3
MolecularWeight
207.2258
MdlNumber
MFCD05664298
Smiles
O=CCCNC(=O)OCc1ccccc1
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
0.9
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CatalogNumber: AB64089
ChemicalName: 3-[(Benzyloxycarbonyl)amino]-1-propanal
CasNumber: 65564-05-8
MolecularFormula: C11H13NO3
MolecularWeight: 207.2258
MdlNumber: MFCD05664298
Smiles: O=CCCNC(=O)OCc1ccccc1
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.9
CatalogNumber:
AB64089
ChemicalName:
3-[(Benzyloxycarbonyl)amino]-1-propanal
CasNumber:
65564-05-8
MolecularFormula:
C11H13NO3
MolecularWeight:
207.2258
MdlNumber:
MFCD05664298
Smiles:
O=CCCNC(=O)OCc1ccccc1
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.9
CatalogNumber: AB64090
ChemicalName: 3-[(Cyclopropylcarbonyl)amino]benzoic acid
CasNumber: 54057-68-0
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD02744866
Smiles: O=C(C1CC1)Nc1cccc(c1)C(=O)O
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB64090
ChemicalName:
3-[(Cyclopropylcarbonyl)amino]benzoic acid
CasNumber:
54057-68-0
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD02744866
Smiles:
O=C(C1CC1)Nc1cccc(c1)C(=O)O
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNCc1cccc(c1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNCc1cccc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNS(=O)(=O)c1cccc(c1)C(=O)O
Complexity: 306
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNS(=O)(=O)c1cccc(c1)C(=O)O
Complexity:
306
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4