AC57923
69684-69-1 | (S)-Azetidine-2-carboxylic acid methyl ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AC57923
ChemicalName
(S)-Azetidine-2-carboxylic acid methyl ester, HCl
CasNumber
69684-69-1
MolecularFormula
C5H10ClNO2
MolecularWeight
151.5914
MdlNumber
MFCD07369973
Smiles
COC(=O)[C@@H]1CCN1.Cl
Complexity
103
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AC57923
ChemicalName: (S)-Azetidine-2-carboxylic acid methyl ester, HCl
CasNumber: 69684-69-1
MolecularFormula: C5H10ClNO2
MolecularWeight: 151.5914
MdlNumber: MFCD07369973
Smiles: COC(=O)[C@@H]1CCN1.Cl
Complexity: 103
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AC57923
ChemicalName:
(S)-Azetidine-2-carboxylic acid methyl ester, HCl
CasNumber:
69684-69-1
MolecularFormula:
C5H10ClNO2
MolecularWeight:
151.5914
MdlNumber:
MFCD07369973
Smiles:
COC(=O)[C@@H]1CCN1.Cl
Complexity:
103
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: AC57927
ChemicalName: 7-Hydroxy-1-indanone
CasNumber: 6968-35-0
MolecularFormula: C9H8O2
MolecularWeight: 148.15862
MdlNumber: MFCD01548387
Smiles: O=C1CCc2c1c(O)ccc2
Complexity: 176
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AC57927
ChemicalName:
7-Hydroxy-1-indanone
CasNumber:
6968-35-0
MolecularFormula:
C9H8O2
MolecularWeight:
148.15862
MdlNumber:
MFCD01548387
Smiles:
O=C1CCc2c1c(O)ccc2
Complexity:
176
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(ccc1N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(ccc1N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AC57929
ChemicalName: 2,4-Diamino-6-fluoropyrimidine
CasNumber: 696-83-3
MolecularFormula: C4H5FN4
MolecularWeight: 128.1077
MdlNumber: MFCD00219492
Smiles: Nc1cc(F)nc(n1)N
Complexity: 98.6
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: __
CatalogNumber:
AC57929
ChemicalName:
2,4-Diamino-6-fluoropyrimidine
CasNumber:
696-83-3
MolecularFormula:
C4H5FN4
MolecularWeight:
128.1077
MdlNumber:
MFCD00219492
Smiles:
Nc1cc(F)nc(n1)N
Complexity:
98.6
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
__