AA64929
14670-94-1 | 3,5-Dimethyladamantane-1-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA64929
ChemicalName
3,5-Dimethyladamantane-1-carboxylic acid
CasNumber
14670-94-1
MolecularFormula
C13H20O2
MolecularWeight
208.2967
MdlNumber
MFCD00188067
Smiles
OC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
2
Xlogp3
3.2
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CatalogNumber: AA64929
ChemicalName: 3,5-Dimethyladamantane-1-carboxylic acid
CasNumber: 14670-94-1
MolecularFormula: C13H20O2
MolecularWeight: 208.2967
MdlNumber: MFCD00188067
Smiles: OC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 2
Xlogp3: 3.2
CatalogNumber:
AA64929
ChemicalName:
3,5-Dimethyladamantane-1-carboxylic acid
CasNumber:
14670-94-1
MolecularFormula:
C13H20O2
MolecularWeight:
208.2967
MdlNumber:
MFCD00188067
Smiles:
OC(=O)C12CC3CC(C2)(CC(C1)(C3)C)C
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(c(c1)Cl)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(c(c1)Cl)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(n[nH]1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(n[nH]1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA64933
ChemicalName: 6-Methylbenzo[b]thiophene-2-carboxylic acid
CasNumber: 1467-86-3
MolecularFormula: C10H8O2S
MolecularWeight: 192.2343
MdlNumber: MFCD07377056
Smiles: Cc1ccc2c(c1)sc(c2)C(=O)O
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AA64933
ChemicalName:
6-Methylbenzo[b]thiophene-2-carboxylic acid
CasNumber:
1467-86-3
MolecularFormula:
C10H8O2S
MolecularWeight:
192.2343
MdlNumber:
MFCD07377056
Smiles:
Cc1ccc2c(c1)sc(c2)C(=O)O
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2