AA45805
131615-22-0 | (3R)-2,3-Dihydro-3-methyl-1h-isoindol-1-one
Manufacturer: A2B Chem
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CatalogNumber
AA45805
ChemicalName
(3R)-2,3-Dihydro-3-methyl-1h-isoindol-1-one
CasNumber
131615-22-0
MolecularFormula
C9H9NO
MolecularWeight
147.1739
MdlNumber
MFCD12924037
Smiles
O=C1N[C@@H](c2c1cccc2)C
Complexity
178
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
Xlogp3
1.2
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CatalogNumber: AA45805
ChemicalName: (3R)-2,3-Dihydro-3-methyl-1h-isoindol-1-one
CasNumber: 131615-22-0
MolecularFormula: C9H9NO
MolecularWeight: 147.1739
MdlNumber: MFCD12924037
Smiles: O=C1N[C@@H](c2c1cccc2)C
Complexity: 178
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
Xlogp3: 1.2
CatalogNumber:
AA45805
ChemicalName:
(3R)-2,3-Dihydro-3-methyl-1h-isoindol-1-one
CasNumber:
131615-22-0
MolecularFormula:
C9H9NO
MolecularWeight:
147.1739
MdlNumber:
MFCD12924037
Smiles:
O=C1N[C@@H](c2c1cccc2)C
Complexity:
178
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)P1(c2ccc(cc2)C)c2ccc3c(c2-c2c(P([Ru+2]456781([Cl-])C1=C6[C]8(=C5C4=[C]71C)C(C)C)(c1ccc(cc1)C)c1ccc(cc1)C)ccc1c2cccc1)cccc3
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)P1(c2ccc(cc2)C)c2ccc3c(c2-c2c(P([Ru+2]456781([Cl-])C1=C6[C]8(=C5C4=[C]71C)C(C)C)(c1ccc(cc1)C)c1ccc(cc1)C)ccc1c2cccc1)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)cc(c(n2)Cl)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)cc(c(n2)Cl)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AA45815
ChemicalName: (E)-3-(2-Pyridinyl)-2-propen-1-ol
CasNumber: 131610-03-2
MolecularFormula: C8H9NO
MolecularWeight: 135.1632
MdlNumber: MFCD18384384
Smiles: OCC=Cc1ccccn1
Complexity: 112
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: 0.6
CatalogNumber:
AA45815
ChemicalName:
(E)-3-(2-Pyridinyl)-2-propen-1-ol
CasNumber:
131610-03-2
MolecularFormula:
C8H9NO
MolecularWeight:
135.1632
MdlNumber:
MFCD18384384
Smiles:
OCC=Cc1ccccn1
Complexity:
112
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
0.6