AG24277
4670-09-1 | 3,5-Dihydroxyphenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG24277
ChemicalName
3,5-Dihydroxyphenylacetic acid
CasNumber
4670-09-1
MolecularFormula
C8H8O4
MolecularWeight
168.14672
MdlNumber
MFCD03428543
Smiles
OC(=O)Cc1cc(O)cc(c1)O
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AG24277
ChemicalName: 3,5-Dihydroxyphenylacetic acid
CasNumber: 4670-09-1
MolecularFormula: C8H8O4
MolecularWeight: 168.14672
MdlNumber: MFCD03428543
Smiles: OC(=O)Cc1cc(O)cc(c1)O
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AG24277
ChemicalName:
3,5-Dihydroxyphenylacetic acid
CasNumber:
4670-09-1
MolecularFormula:
C8H8O4
MolecularWeight:
168.14672
MdlNumber:
MFCD03428543
Smiles:
OC(=O)Cc1cc(O)cc(c1)O
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)OP(=S)(Oc1ccc(cc1)N)Oc1ccc(cc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)OP(=S)(Oc1ccc(cc1)N)Oc1ccc(cc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
Complexity: 310
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
Complexity:
310
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [F-][B+3]([O]1CCCC1)([F-])[F-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[F-][B+3]([O]1CCCC1)([F-])[F-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__