AB49279
35404-50-3 | Cyclocreatine
Manufacturer: A2B Chem
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CatalogNumber
AB49279
ChemicalName
Cyclocreatine
CasNumber
35404-50-3
MolecularFormula
C5H9N3O2
MolecularWeight
143.1439
MdlNumber
MFCD00134455
Smiles
NC1=NCCN1CC(=O)O
NscNumber
707961
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-1.6
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CatalogNumber: AB49279
ChemicalName: Cyclocreatine
CasNumber: 35404-50-3
MolecularFormula: C5H9N3O2
MolecularWeight: 143.1439
MdlNumber: MFCD00134455
Smiles: NC1=NCCN1CC(=O)O
NscNumber: 707961
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -1.6
CatalogNumber:
AB49279
ChemicalName:
Cyclocreatine
CasNumber:
35404-50-3
MolecularFormula:
C5H9N3O2
MolecularWeight:
143.1439
MdlNumber:
MFCD00134455
Smiles:
NC1=NCCN1CC(=O)O
NscNumber:
707961
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-1.6
CatalogNumber: AB49280
ChemicalName: 1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl ester
CasNumber: 3697-68-5
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD09759206
Smiles: CCOC(=O)C1(CO)CC1
NscNumber: __
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.1
CatalogNumber:
AB49280
ChemicalName:
1-Hydroxymethyl-cyclopropanecarboxylic acid ethyl ester
CasNumber:
3697-68-5
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD09759206
Smiles:
CCOC(=O)C1(CO)CC1
NscNumber:
__
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.1
CatalogNumber: AB49281
ChemicalName: Chroman-2-carboxylic acid
CasNumber: 51939-71-0
MolecularFormula: C10H10O3
MolecularWeight: 178.1846
MdlNumber: MFCD00044719
Smiles: OC(=O)C1CCc2c(O1)cccc2
NscNumber: __
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB49281
ChemicalName:
Chroman-2-carboxylic acid
CasNumber:
51939-71-0
MolecularFormula:
C10H10O3
MolecularWeight:
178.1846
MdlNumber:
MFCD00044719
Smiles:
OC(=O)C1CCc2c(O1)cccc2
NscNumber:
__
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCCCCCCCCl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCCCCCCCCl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__