AB63086
857283-89-7 | 3-Pyrrolidin-1-ylbenzaldehyde
Manufacturer: A2B Chem
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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
RotatableBondCount
2
Xlogp3
3
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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
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
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)N1CCCC1
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)N1CCCC1
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
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
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
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(CCC(=O)O)cccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(CCC(=O)O)cccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__