AA78093
1560-11-8 | 1-Cyclopentenecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA78093
ChemicalName
1-Cyclopentenecarboxylic acid
CasNumber
1560-11-8
MolecularFormula
C6H8O2
MolecularWeight
112.1265
MdlNumber
MFCD00001396
Smiles
OC(=O)C1=CCCC1
NscNumber
44968
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AA78093
ChemicalName: 1-Cyclopentenecarboxylic acid
CasNumber: 1560-11-8
MolecularFormula: C6H8O2
MolecularWeight: 112.1265
MdlNumber: MFCD00001396
Smiles: OC(=O)C1=CCCC1
NscNumber: 44968
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AA78093
ChemicalName:
1-Cyclopentenecarboxylic acid
CasNumber:
1560-11-8
MolecularFormula:
C6H8O2
MolecularWeight:
112.1265
MdlNumber:
MFCD00001396
Smiles:
OC(=O)C1=CCCC1
NscNumber:
44968
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=CCC1=CC=CC=C1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=CCC1=CC=CC=C1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCO
NscNumber: __
Complexity: 16.4
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCO
NscNumber:
__
Complexity:
16.4
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-1.1
CatalogNumber: AA78096
ChemicalName: Homoarginine
CasNumber: 156-86-5
MolecularFormula: C7H16N4O2
MolecularWeight: 188.2275
MdlNumber: MFCD00237108
Smiles: NN=CNCCCC[C@@H](C(=O)O)N
NscNumber: __
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 4
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: -3.7
CatalogNumber:
AA78096
ChemicalName:
Homoarginine
CasNumber:
156-86-5
MolecularFormula:
C7H16N4O2
MolecularWeight:
188.2275
MdlNumber:
MFCD00237108
Smiles:
NN=CNCCCC[C@@H](C(=O)O)N
NscNumber:
__
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
4
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
-3.7