AC24550
828-01-3 | DL-3-phenyllactic acid
Manufacturer: A2B Chem
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CatalogNumber
AC24550
ChemicalName
DL-3-phenyllactic acid
CasNumber
828-01-3
MolecularFormula
C9H10O3
MolecularWeight
166.1739
MdlNumber
MFCD00065928
Smiles
OC(C(=O)O)Cc1ccccc1
NscNumber
2627
Complexity
150
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AC24550
ChemicalName: DL-3-phenyllactic acid
CasNumber: 828-01-3
MolecularFormula: C9H10O3
MolecularWeight: 166.1739
MdlNumber: MFCD00065928
Smiles: OC(C(=O)O)Cc1ccccc1
NscNumber: 2627
Complexity: 150
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AC24550
ChemicalName:
DL-3-phenyllactic acid
CasNumber:
828-01-3
MolecularFormula:
C9H10O3
MolecularWeight:
166.1739
MdlNumber:
MFCD00065928
Smiles:
OC(C(=O)O)Cc1ccccc1
NscNumber:
2627
Complexity:
150
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
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Smiles: CCc1cc(CC)cc2c1S(=O)(=O)c1c(C2=O)cccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CCc1cc(CC)cc2c1S(=O)(=O)c1c(C2=O)cccc1
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: O=C1C2CCC1Cc1c(C2)cc(cc1)O
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
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Smiles:
O=C1C2CCC1Cc1c(C2)cc(cc1)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc(cc1)[N+]#N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc(cc1)[N+]#N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__