AB43753
56674-87-4 | 2-Adamantanone-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43753
ChemicalName
2-Adamantanone-5-carboxylic acid
CasNumber
56674-87-4
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD01825769
Smiles
O=C1C2CC3CC1CC(C2)(C3)C(=O)O
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
2
Xlogp3
0.7
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CatalogNumber: AB43753
ChemicalName: 2-Adamantanone-5-carboxylic acid
CasNumber: 56674-87-4
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD01825769
Smiles: O=C1C2CC3CC1CC(C2)(C3)C(=O)O
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.7
CatalogNumber:
AB43753
ChemicalName:
2-Adamantanone-5-carboxylic acid
CasNumber:
56674-87-4
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD01825769
Smiles:
O=C1C2CC3CC1CC(C2)(C3)C(=O)O
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)c1ccc(c(c1)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)c1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nncs1
Complexity: 48.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nncs1
Complexity:
48.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.6
CatalogNumber: AB43756
ChemicalName: 2-Amino-1,3-propanediol
CasNumber: 534-03-2
MolecularFormula: C3H9NO2
MolecularWeight: 91.1091
MdlNumber: MFCD00051487
Smiles: OCC(CO)N
Complexity: 28
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: -2
CatalogNumber:
AB43756
ChemicalName:
2-Amino-1,3-propanediol
CasNumber:
534-03-2
MolecularFormula:
C3H9NO2
MolecularWeight:
91.1091
MdlNumber:
MFCD00051487
Smiles:
OCC(CO)N
Complexity:
28
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
-2