AH13993
65922-85-2 | 5-Methylmorpholin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AH13993
ChemicalName
5-Methylmorpholin-3-one
CasNumber
65922-85-2
MolecularFormula
C5H9NO2
MolecularWeight
115.1305
MdlNumber
MFCD07781030
Smiles
CC1COCC(=O)N1
Complexity
103
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.4
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CatalogNumber: AH13993
ChemicalName: 5-Methylmorpholin-3-one
CasNumber: 65922-85-2
MolecularFormula: C5H9NO2
MolecularWeight: 115.1305
MdlNumber: MFCD07781030
Smiles: CC1COCC(=O)N1
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.4
CatalogNumber:
AH13993
ChemicalName:
5-Methylmorpholin-3-one
CasNumber:
65922-85-2
MolecularFormula:
C5H9NO2
MolecularWeight:
115.1305
MdlNumber:
MFCD07781030
Smiles:
CC1COCC(=O)N1
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AH13995
ChemicalName: 2-(Pyridin-2-yl)benzothiazole
CasNumber: 716-80-3
MolecularFormula: C12H8N2S
MolecularWeight: 212.2703
MdlNumber: MFCD00454843
Smiles: c1ccc(nc1)c1nc2c(s1)cccc2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AH13995
ChemicalName:
2-(Pyridin-2-yl)benzothiazole
CasNumber:
716-80-3
MolecularFormula:
C12H8N2S
MolecularWeight:
212.2703
MdlNumber:
MFCD00454843
Smiles:
c1ccc(nc1)c1nc2c(s1)cccc2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(C1=CC=C(C=C1)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(C1=CC=C(C=C1)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__