AI48334
34083-55-1 | methyl (2R)-2-phenylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AI48334
ChemicalName
methyl (2R)-2-phenylpropanoate
CasNumber
34083-55-1
MolecularFormula
C10H12O2
MolecularWeight
164.2011
MdlNumber
MFCD20483795
Smiles
COC(=O)[C@@H](c1ccccc1)C
Complexity
148
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AI48334
ChemicalName: methyl (2R)-2-phenylpropanoate
CasNumber: 34083-55-1
MolecularFormula: C10H12O2
MolecularWeight: 164.2011
MdlNumber: MFCD20483795
Smiles: COC(=O)[C@@H](c1ccccc1)C
Complexity: 148
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AI48334
ChemicalName:
methyl (2R)-2-phenylpropanoate
CasNumber:
34083-55-1
MolecularFormula:
C10H12O2
MolecularWeight:
164.2011
MdlNumber:
MFCD20483795
Smiles:
COC(=O)[C@@H](c1ccccc1)C
Complexity:
148
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.3
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Smiles: COC(=O)c1cc2c(s1)c(ccc2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
COC(=O)c1cc2c(s1)c(ccc2)[N+](=O)[O-]
Complexity:
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DefinedAtomStereocenterCount:
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Smiles: [O-][N+](=O)c1cccc(c1C)CC(=O)OC
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Smiles:
[O-][N+](=O)c1cccc(c1C)CC(=O)OC
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RotatableBondCount:
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Smiles: CCOC(=O)C1CCCN(C1)C1CCNCC1
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCOC(=O)C1CCCN(C1)C1CCNCC1
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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