AF00273
18729-20-9 | Methyl tetrahydro-2h-pyran-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF00273
ChemicalName
Methyl tetrahydro-2h-pyran-3-carboxylate
CasNumber
18729-20-9
MolecularFormula
C7H12O3
MolecularWeight
144.1684
MdlNumber
MFCD09839011
Smiles
COC(=O)C1CCCOC1
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AF00273
ChemicalName: Methyl tetrahydro-2h-pyran-3-carboxylate
CasNumber: 18729-20-9
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD09839011
Smiles: COC(=O)C1CCCOC1
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AF00273
ChemicalName:
Methyl tetrahydro-2h-pyran-3-carboxylate
CasNumber:
18729-20-9
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD09839011
Smiles:
COC(=O)C1CCCOC1
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(/C=C/C(=O)OCC[N](C)(C)C)cc(c1O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(/C=C/C(=O)OCC[N](C)(C)C)cc(c1O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: NCCNCCNCCO
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
NCCNCCNCCO
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__