AB07924
19833-96-6 | Methyl cyclopentylphenylglycolate
Manufacturer: A2B Chem
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CatalogNumber
AB07924
ChemicalName
Methyl cyclopentylphenylglycolate
CasNumber
19833-96-6
MolecularFormula
C14H18O3
MolecularWeight
234.2909
MdlNumber
MFCD00019295
Smiles
COC(=O)C(c1ccccc1)(C1CCCC1)O
NscNumber
93811
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.8
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CatalogNumber: AB07924
ChemicalName: Methyl cyclopentylphenylglycolate
CasNumber: 19833-96-6
MolecularFormula: C14H18O3
MolecularWeight: 234.2909
MdlNumber: MFCD00019295
Smiles: COC(=O)C(c1ccccc1)(C1CCCC1)O
NscNumber: 93811
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.8
CatalogNumber:
AB07924
ChemicalName:
Methyl cyclopentylphenylglycolate
CasNumber:
19833-96-6
MolecularFormula:
C14H18O3
MolecularWeight:
234.2909
MdlNumber:
MFCD00019295
Smiles:
COC(=O)C(c1ccccc1)(C1CCCC1)O
NscNumber:
93811
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.8
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Smiles: CCCCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC
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Complexity: __
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Smiles:
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(C1=O)OC
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Smiles: CC[NH2+]CC.[I-]
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CC[NH2+]CC.[I-]
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Smiles: CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)CO)C)C
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
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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:
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)CO)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__