AA46614
13205-46-4 | 4-Isopropoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA46614
ChemicalName
4-Isopropoxybenzoic acid
CasNumber
13205-46-4
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD00044318
Smiles
CC(Oc1ccc(cc1)C(=O)O)C
NscNumber
16646
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AA46614
ChemicalName: 4-Isopropoxybenzoic acid
CasNumber: 13205-46-4
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD00044318
Smiles: CC(Oc1ccc(cc1)C(=O)O)C
NscNumber: 16646
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AA46614
ChemicalName:
4-Isopropoxybenzoic acid
CasNumber:
13205-46-4
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD00044318
Smiles:
CC(Oc1ccc(cc1)C(=O)O)C
NscNumber:
16646
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1O)C(c1ccccc1)(C)C)(c1ccccc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1O)C(c1ccccc1)(C)C)(c1ccccc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA46616
ChemicalName: 5-Hydroxy-dl-lysine, HCl
CasNumber: 13204-98-3
MolecularFormula: C6H15ClN2O3
MolecularWeight: 198.6479
MdlNumber: MFCD00012878
Smiles: NCC(CC[C@@H](C(=O)O)N)O.Cl
NscNumber: __
Complexity: 129
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 5
RotatableBondCount: 5
Xlogp3: __
CatalogNumber:
AA46616
ChemicalName:
5-Hydroxy-dl-lysine, HCl
CasNumber:
13204-98-3
MolecularFormula:
C6H15ClN2O3
MolecularWeight:
198.6479
MdlNumber:
MFCD00012878
Smiles:
NCC(CC[C@@H](C(=O)O)N)O.Cl
NscNumber:
__
Complexity:
129
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
5
RotatableBondCount:
5
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(Cc1ccc(cc1)Br)NC(=O)OC(C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(Cc1ccc(cc1)Br)NC(=O)OC(C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__