AD30134
4388-56-1 | 3-[1,3]Dioxolan-2-yl-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AD30134
ChemicalName
3-[1,3]Dioxolan-2-yl-propionic acid
CasNumber
4388-56-1
MolecularFormula
C6H10O4
MolecularWeight
146.1412
MdlNumber
MFCD06209471
Smiles
OC(=O)CCC1OCCO1
Complexity
117
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.3
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CatalogNumber: AD30134
ChemicalName: 3-[1,3]Dioxolan-2-yl-propionic acid
CasNumber: 4388-56-1
MolecularFormula: C6H10O4
MolecularWeight: 146.1412
MdlNumber: MFCD06209471
Smiles: OC(=O)CCC1OCCO1
Complexity: 117
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.3
CatalogNumber:
AD30134
ChemicalName:
3-[1,3]Dioxolan-2-yl-propionic acid
CasNumber:
4388-56-1
MolecularFormula:
C6H10O4
MolecularWeight:
146.1412
MdlNumber:
MFCD06209471
Smiles:
OC(=O)CCC1OCCO1
Complexity:
117
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.3
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Smiles: O=C1N(N2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1N(N2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)[O-].[Na+]
Complexity: __
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Xlogp3: __
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Smiles:
O=C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)OS(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)N
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCCN)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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