AB52931
98955-27-2 | (4-(Methoxymethyl)cyclohexyl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AB52931
ChemicalName
(4-(Methoxymethyl)cyclohexyl)methanol
CasNumber
98955-27-2
MolecularFormula
C9H18O2
MolecularWeight
158.238
MdlNumber
MFCD22571682
Smiles
OCC1CCC(CC1)COC
Complexity
95.7
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AB52931
ChemicalName: (4-(Methoxymethyl)cyclohexyl)methanol
CasNumber: 98955-27-2
MolecularFormula: C9H18O2
MolecularWeight: 158.238
MdlNumber: MFCD22571682
Smiles: OCC1CCC(CC1)COC
Complexity: 95.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB52931
ChemicalName:
(4-(Methoxymethyl)cyclohexyl)methanol
CasNumber:
98955-27-2
MolecularFormula:
C9H18O2
MolecularWeight:
158.238
MdlNumber:
MFCD22571682
Smiles:
OCC1CCC(CC1)COC
Complexity:
95.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ncc(c(=O)[nH]1)N
Complexity: 205
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ncc(c(=O)[nH]1)N
Complexity:
205
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.8
CatalogNumber: AB52933
ChemicalName: 1,7-Dimethyl-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
CasNumber: 91339-90-1
MolecularFormula: C11H17NO
MolecularWeight: 179.2588
MdlNumber: MFCD24712815
Smiles: CC1CC(=O)C2=C(C1)N(C)CCC2
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB52933
ChemicalName:
1,7-Dimethyl-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
CasNumber:
91339-90-1
MolecularFormula:
C11H17NO
MolecularWeight:
179.2588
MdlNumber:
MFCD24712815
Smiles:
CC1CC(=O)C2=C(C1)N(C)CCC2
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnc(cc1Cl)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnc(cc1Cl)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__