AB21284
22972-51-6 | (1S,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-enol
Manufacturer: A2B Chem
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CatalogNumber
AB21284
ChemicalName
(1S,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-enol
CasNumber
22972-51-6
MolecularFormula
C10H16O
MolecularWeight
152.2334
MdlNumber
MFCD08460036
Smiles
CC(=C)[C@@H]1CC[C@](C=C1)(C)O
Complexity
193
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB21284
ChemicalName: (1S,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-enol
CasNumber: 22972-51-6
MolecularFormula: C10H16O
MolecularWeight: 152.2334
MdlNumber: MFCD08460036
Smiles: CC(=C)[C@@H]1CC[C@](C=C1)(C)O
Complexity: 193
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB21284
ChemicalName:
(1S,4R)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-2-enol
CasNumber:
22972-51-6
MolecularFormula:
C10H16O
MolecularWeight:
152.2334
MdlNumber:
MFCD08460036
Smiles:
CC(=C)[C@@H]1CC[C@](C=C1)(C)O
Complexity:
193
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: AB21285
ChemicalName: 5-Oxo-5-(thiophen-2-yl)pentanoic acid
CasNumber: 22971-62-6
MolecularFormula: C9H10O3S
MolecularWeight: 198.2389
MdlNumber: MFCD00151848
Smiles: OC(=O)CCCC(=O)c1cccs1
Complexity: 203
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.4
CatalogNumber:
AB21285
ChemicalName:
5-Oxo-5-(thiophen-2-yl)pentanoic acid
CasNumber:
22971-62-6
MolecularFormula:
C9H10O3S
MolecularWeight:
198.2389
MdlNumber:
MFCD00151848
Smiles:
OC(=O)CCCC(=O)c1cccs1
Complexity:
203
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCCC(=O)c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCCC(=O)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCC(=O)c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCC(=O)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__