AA52969
121470-62-0 | Bz-Nva-OH
Manufacturer: A2B Chem
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CatalogNumber
AA52969
ChemicalName
Bz-Nva-OH
CasNumber
121470-62-0
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD00190769
Smiles
CCC[C@@H](C(=O)O)NC(=O)c1ccccc1
Complexity
247
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.1
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CatalogNumber: AA52969
ChemicalName: Bz-Nva-OH
CasNumber: 121470-62-0
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD00190769
Smiles: CCC[C@@H](C(=O)O)NC(=O)c1ccccc1
Complexity: 247
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AA52969
ChemicalName:
Bz-Nva-OH
CasNumber:
121470-62-0
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD00190769
Smiles:
CCC[C@@H](C(=O)O)NC(=O)c1ccccc1
Complexity:
247
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(Cl)c2c(c1)cccn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(Cl)c2c(c1)cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA52972
ChemicalName: 6-Methylhept-5-en-2-yl acetate
CasNumber: 19162-00-6
MolecularFormula: C10H18O2
MolecularWeight: 170.2487
MdlNumber: MFCD24503960
Smiles: CC(=CCCC(OC(=O)C)C)C
Complexity: 167
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AA52972
ChemicalName:
6-Methylhept-5-en-2-yl acetate
CasNumber:
19162-00-6
MolecularFormula:
C10H18O2
MolecularWeight:
170.2487
MdlNumber:
MFCD24503960
Smiles:
CC(=CCCC(OC(=O)C)C)C
Complexity:
167
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc2c(c1)C(C=C2)[Zr+2]C1C=Cc2c1cccc2.[Cl-].[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc2c(c1)C(C=C2)[Zr+2]C1C=Cc2c1cccc2.[Cl-].[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__