AB49696
5472-38-8 | Diethyl 2-formylsuccinate
Manufacturer: A2B Chem
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CatalogNumber
AB49696
ChemicalName
Diethyl 2-formylsuccinate
CasNumber
5472-38-8
MolecularFormula
C9H14O5
MolecularWeight
202.2045
MdlNumber
MFCD00056287
Smiles
CCOC(=O)CC(C(=O)OCC)C=O
NscNumber
27890
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AB49696
ChemicalName: Diethyl 2-formylsuccinate
CasNumber: 5472-38-8
MolecularFormula: C9H14O5
MolecularWeight: 202.2045
MdlNumber: MFCD00056287
Smiles: CCOC(=O)CC(C(=O)OCC)C=O
NscNumber: 27890
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AB49696
ChemicalName:
Diethyl 2-formylsuccinate
CasNumber:
5472-38-8
MolecularFormula:
C9H14O5
MolecularWeight:
202.2045
MdlNumber:
MFCD00056287
Smiles:
CCOC(=O)CC(C(=O)OCC)C=O
NscNumber:
27890
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: AB49697
ChemicalName: 1,2-Oxazinane hydrochloride
CasNumber: 54722-74-6
MolecularFormula: C4H10ClNO
MolecularWeight: 123.5813
MdlNumber: MFCD13193208
Smiles: C1CCNOC1.Cl
NscNumber: __
Complexity: 38.5
Covalently-bondedUnitCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB49697
ChemicalName:
1,2-Oxazinane hydrochloride
CasNumber:
54722-74-6
MolecularFormula:
C4H10ClNO
MolecularWeight:
123.5813
MdlNumber:
MFCD13193208
Smiles:
C1CCNOC1.Cl
NscNumber:
__
Complexity:
38.5
Covalently-bondedUnitCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCO[Si]([Si](OCC)(C)C)(C)C
NscNumber: __
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCO[Si]([Si](OCC)(C)C)(C)C
NscNumber:
__
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB49699
ChemicalName: 4-Methoxy-3-nitrophenylboronic acid, pinacol ester
CasNumber: 554411-20-0
MolecularFormula: C13H18BNO5
MolecularWeight: 279.0967
MdlNumber: MFCD12923405
Smiles: COc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 365
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB49699
ChemicalName:
4-Methoxy-3-nitrophenylboronic acid, pinacol ester
CasNumber:
554411-20-0
MolecularFormula:
C13H18BNO5
MolecularWeight:
279.0967
MdlNumber:
MFCD12923405
Smiles:
COc1ccc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
365
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__