AB63162
2815-95-4 | 3-(3,4-Methylenedioxyphenyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63162
ChemicalName
3-(3,4-Methylenedioxyphenyl)propionic acid
CasNumber
2815-95-4
MolecularFormula
C10H10O4
MolecularWeight
194.184
MdlNumber
MFCD00016909
Smiles
OC(=O)CCc1ccc2c(c1)OCO2
NscNumber
55524
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AB63162
ChemicalName: 3-(3,4-Methylenedioxyphenyl)propionic acid
CasNumber: 2815-95-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD00016909
Smiles: OC(=O)CCc1ccc2c(c1)OCO2
NscNumber: 55524
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB63162
ChemicalName:
3-(3,4-Methylenedioxyphenyl)propionic acid
CasNumber:
2815-95-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD00016909
Smiles:
OC(=O)CCc1ccc2c(c1)OCO2
NscNumber:
55524
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB63163
ChemicalName: 3-(3,5-Dichlorophenoxy)benzaldehyde
CasNumber: 81028-92-4
MolecularFormula: C13H8Cl2O2
MolecularWeight: 267.1074
MdlNumber: MFCD00003355
Smiles: O=Cc1cccc(c1)Oc1cc(Cl)cc(c1)Cl
NscNumber: __
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.6
CatalogNumber:
AB63163
ChemicalName:
3-(3,5-Dichlorophenoxy)benzaldehyde
CasNumber:
81028-92-4
MolecularFormula:
C13H8Cl2O2
MolecularWeight:
267.1074
MdlNumber:
MFCD00003355
Smiles:
O=Cc1cccc(c1)Oc1cc(Cl)cc(c1)Cl
NscNumber:
__
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.6
CatalogNumber: AB63164
ChemicalName: 3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber: 95333-95-2
MolecularFormula: C9H8Cl2O2
MolecularWeight: 219.06462
MdlNumber: MFCD04037332
Smiles: OC(=O)CCc1cc(Cl)cc(c1)Cl
NscNumber: __
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB63164
ChemicalName:
3-(3,5-Dichloro-phenyl)-propionic acid
CasNumber:
95333-95-2
MolecularFormula:
C9H8Cl2O2
MolecularWeight:
219.06462
MdlNumber:
MFCD04037332
Smiles:
OC(=O)CCc1cc(Cl)cc(c1)Cl
NscNumber:
__
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c[nH]nc1c1cc(F)cc(c1)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c[nH]nc1c1cc(F)cc(c1)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__