AB63088
887922-93-2 | 3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl
Manufacturer: A2B Chem
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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
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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
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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(CCC(=O)O)cccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(CCC(=O)O)cccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB63090
ChemicalName: 3-(2,4-Dihydroxyphenyl)propionic acid
CasNumber: 5631-68-5
MolecularFormula: C9H10O4
MolecularWeight: 182.1733
MdlNumber: MFCD00143017
Smiles: OC(=O)CCc1ccc(cc1O)O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB63090
ChemicalName:
3-(2,4-Dihydroxyphenyl)propionic acid
CasNumber:
5631-68-5
MolecularFormula:
C9H10O4
MolecularWeight:
182.1733
MdlNumber:
MFCD00143017
Smiles:
OC(=O)CCc1ccc(cc1O)O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)ccc1CCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)ccc1CCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__