AA33083
1198-97-6 | 4-Phenyl-2-pyrrolidone
Manufacturer: A2B Chem
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CatalogNumber
AA33083
ChemicalName
4-Phenyl-2-pyrrolidone
CasNumber
1198-97-6
MolecularFormula
C10H11NO
MolecularWeight
161.2004
MdlNumber
MFCD01687226
Smiles
O=C1NCC(C1)c1ccccc1
Complexity
173
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AA33083
ChemicalName: 4-Phenyl-2-pyrrolidone
CasNumber: 1198-97-6
MolecularFormula: C10H11NO
MolecularWeight: 161.2004
MdlNumber: MFCD01687226
Smiles: O=C1NCC(C1)c1ccccc1
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AA33083
ChemicalName:
4-Phenyl-2-pyrrolidone
CasNumber:
1198-97-6
MolecularFormula:
C10H11NO
MolecularWeight:
161.2004
MdlNumber:
MFCD01687226
Smiles:
O=C1NCC(C1)c1ccccc1
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)CCc2c(O1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)CCc2c(O1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA33086
ChemicalName: 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid
CasNumber: 1198-84-1
MolecularFormula: C8H8O4
MolecularWeight: 168.14672
MdlNumber: MFCD00004234
Smiles: OC(=O)C(c1ccc(cc1)O)O
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AA33086
ChemicalName:
2-Hydroxy-2-(4-hydroxyphenyl)acetic acid
CasNumber:
1198-84-1
MolecularFormula:
C8H8O4
MolecularWeight:
168.14672
MdlNumber:
MFCD00004234
Smiles:
OC(=O)C(c1ccc(cc1)O)O
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O.[Na]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O.[Na]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__