AC44831
834914-37-3 | Methyl 4-(hydroxymethyl)oxane-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC44831
ChemicalName
Methyl 4-(hydroxymethyl)oxane-4-carboxylate
CasNumber
834914-37-3
MolecularFormula
C8H14O4
MolecularWeight
174.19436000000005
MdlNumber
MFCD28403008
Smiles
OCC1(CCOCC1)C(=O)OC
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.4
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CatalogNumber: AC44831
ChemicalName: Methyl 4-(hydroxymethyl)oxane-4-carboxylate
CasNumber: 834914-37-3
MolecularFormula: C8H14O4
MolecularWeight: 174.19436000000005
MdlNumber: MFCD28403008
Smiles: OCC1(CCOCC1)C(=O)OC
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AC44831
ChemicalName:
Methyl 4-(hydroxymethyl)oxane-4-carboxylate
CasNumber:
834914-37-3
MolecularFormula:
C8H14O4
MolecularWeight:
174.19436000000005
MdlNumber:
MFCD28403008
Smiles:
OCC1(CCOCC1)C(=O)OC
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Fc1cc(CNc2cccc(c2)C(=O)O)cc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Fc1cc(CNc2cccc(c2)C(=O)O)cc(c1)F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(c1ccc(cc1)Br)ON1C(=O)CCC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(cc1)Br)ON1C(=O)CCC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__