AB66778
212650-43-6 | Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB66778
ChemicalName
Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
CasNumber
212650-43-6
MolecularFormula
C10H17NO5
MolecularWeight
231.24568000000008
MdlNumber
MFCD02683057
Smiles
OC(=O)C1COCCN1C(=O)OC(C)(C)C
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AB66778
ChemicalName: Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
CasNumber: 212650-43-6
MolecularFormula: C10H17NO5
MolecularWeight: 231.24568000000008
MdlNumber: MFCD02683057
Smiles: OC(=O)C1COCCN1C(=O)OC(C)(C)C
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AB66778
ChemicalName:
Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
CasNumber:
212650-43-6
MolecularFormula:
C10H17NO5
MolecularWeight:
231.24568000000008
MdlNumber:
MFCD02683057
Smiles:
OC(=O)C1COCCN1C(=O)OC(C)(C)C
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: AB66779
ChemicalName: 4'-Boronic acid-biphenyl-4-carboxylic acid methyl ester
CasNumber: 501944-43-0
MolecularFormula: C14H13BO4
MolecularWeight: 256.0616
MdlNumber: MFCD08544388
Smiles: COC(=O)c1ccc(cc1)c1ccc(cc1)B(O)O
Complexity: 292
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB66779
ChemicalName:
4'-Boronic acid-biphenyl-4-carboxylic acid methyl ester
CasNumber:
501944-43-0
MolecularFormula:
C14H13BO4
MolecularWeight:
256.0616
MdlNumber:
MFCD08544388
Smiles:
COC(=O)c1ccc(cc1)c1ccc(cc1)B(O)O
Complexity:
292
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB66780
ChemicalName: 4-Borono-3-cyclohexen-1-one, ethylene glycol ketal
CasNumber: 850567-90-7
MolecularFormula: C8H13BO4
MolecularWeight: 183.9974
MdlNumber: MFCD06659855
Smiles: OB(C1=CCC2(CC1)OCCO2)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB66780
ChemicalName:
4-Borono-3-cyclohexen-1-one, ethylene glycol ketal
CasNumber:
850567-90-7
MolecularFormula:
C8H13BO4
MolecularWeight:
183.9974
MdlNumber:
MFCD06659855
Smiles:
OB(C1=CCC2(CC1)OCCO2)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB66781
ChemicalName: 4-Borono-D,L-phenylalanine
CasNumber: 90580-64-6
MolecularFormula: C9H12BNO4
MolecularWeight: 209.0069
MdlNumber: MFCD01863704
Smiles: B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: __
CatalogNumber:
AB66781
ChemicalName:
4-Borono-D,L-phenylalanine
CasNumber:
90580-64-6
MolecularFormula:
C9H12BNO4
MolecularWeight:
209.0069
MdlNumber:
MFCD01863704
Smiles:
B(C1=CC=C(C=C1)CC(C(=O)O)N)(O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
__