AB77726
824-62-4 | Bicyclo[2.2.1]heptane-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB77726
ChemicalName
Bicyclo[2.2.1]heptane-2-carboxylic acid
CasNumber
824-62-4
MolecularFormula
C8H12O2
MolecularWeight
140.1797
MdlNumber
MFCD00167749
Smiles
OC(=O)C1CC2CC1CC2
NscNumber
152331
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
3
Xlogp3
1.8
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CatalogNumber: AB77726
ChemicalName: Bicyclo[2.2.1]heptane-2-carboxylic acid
CasNumber: 824-62-4
MolecularFormula: C8H12O2
MolecularWeight: 140.1797
MdlNumber: MFCD00167749
Smiles: OC(=O)C1CC2CC1CC2
NscNumber: 152331
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 3
Xlogp3: 1.8
CatalogNumber:
AB77726
ChemicalName:
Bicyclo[2.2.1]heptane-2-carboxylic acid
CasNumber:
824-62-4
MolecularFormula:
C8H12O2
MolecularWeight:
140.1797
MdlNumber:
MFCD00167749
Smiles:
OC(=O)C1CC2CC1CC2
NscNumber:
152331
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CC2CC1C=C2
NscNumber: __
Complexity: 90.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CC2CC1C=C2
NscNumber:
__
Complexity:
90.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCC(c1ccc(c(c1)OC)OC)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCC(c1ccc(c(c1)OC)OC)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__