AB63085
89532-73-0 | 3-(1H-Pyrazol-1-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63085
ChemicalName
3-(1H-Pyrazol-1-yl)propanoic acid
CasNumber
89532-73-0
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD01822327
Smiles
OC(=O)CCn1cccn1
Complexity
127
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.3
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CatalogNumber: AB63085
ChemicalName: 3-(1H-Pyrazol-1-yl)propanoic acid
CasNumber: 89532-73-0
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD01822327
Smiles: OC(=O)CCn1cccn1
Complexity: 127
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.3
CatalogNumber:
AB63085
ChemicalName:
3-(1H-Pyrazol-1-yl)propanoic acid
CasNumber:
89532-73-0
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD01822327
Smiles:
OC(=O)CCn1cccn1
Complexity:
127
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.3
CatalogNumber: AB63086
ChemicalName: 3-Pyrrolidin-1-ylbenzaldehyde
CasNumber: 857283-89-7
MolecularFormula: C11H13NO
MolecularWeight: 175.227
MdlNumber: MFCD07772825
Smiles: O=Cc1cccc(c1)N1CCCC1
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB63086
ChemicalName:
3-Pyrrolidin-1-ylbenzaldehyde
CasNumber:
857283-89-7
MolecularFormula:
C11H13NO
MolecularWeight:
175.227
MdlNumber:
MFCD07772825
Smiles:
O=Cc1cccc(c1)N1CCCC1
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)N1CCCC1
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)N1CCCC1
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: AB63088
ChemicalName: 3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl
CasNumber: 887922-93-2
MolecularFormula: C12H16ClNO2
MolecularWeight: 241.7139
MdlNumber: MFCD08690301
Smiles: OC(=O)c1cccc(c1)CN1CCCC1.Cl
Complexity: 224
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB63088
ChemicalName:
3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl
CasNumber:
887922-93-2
MolecularFormula:
C12H16ClNO2
MolecularWeight:
241.7139
MdlNumber:
MFCD08690301
Smiles:
OC(=O)c1cccc(c1)CN1CCCC1.Cl
Complexity:
224
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__