AB72930
33658-48-9 | Dimethyl 2-methylheptanedioate
Manufacturer: A2B Chem
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CatalogNumber
AB72930
ChemicalName
Dimethyl 2-methylheptanedioate
CasNumber
33658-48-9
MolecularFormula
C10H18O4
MolecularWeight
202.2475
MdlNumber
MFCD11054856
Smiles
COC(=O)CCCCC(C(=O)OC)C
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AB72930
ChemicalName: Dimethyl 2-methylheptanedioate
CasNumber: 33658-48-9
MolecularFormula: C10H18O4
MolecularWeight: 202.2475
MdlNumber: MFCD11054856
Smiles: COC(=O)CCCCC(C(=O)OC)C
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AB72930
ChemicalName:
Dimethyl 2-methylheptanedioate
CasNumber:
33658-48-9
MolecularFormula:
C10H18O4
MolecularWeight:
202.2475
MdlNumber:
MFCD11054856
Smiles:
COC(=O)CCCCC(C(=O)OC)C
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
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Smiles: COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
COC(=O)c1cccc(c1[N+](=O)[O-])C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: COC(=N)CCSSCCC(=N)OC.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
COC(=N)CCSSCCC(=N)OC.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCSSCCC(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCSSCCC(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__