AB51052
458-37-7 | (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Manufacturer: A2B Chem
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CatalogNumber
AB51052
ChemicalName
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CasNumber
458-37-7
MolecularFormula
C21H20O6
MolecularWeight
368.3799
MdlNumber
MFCD00008365
Smiles
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
Complexity
507
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
3.2
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CatalogNumber: AB51052
ChemicalName: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CasNumber: 458-37-7
MolecularFormula: C21H20O6
MolecularWeight: 368.3799
MdlNumber: MFCD00008365
Smiles: COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
Complexity: 507
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 3.2
CatalogNumber:
AB51052
ChemicalName:
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CasNumber:
458-37-7
MolecularFormula:
C21H20O6
MolecularWeight:
368.3799
MdlNumber:
MFCD00008365
Smiles:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
Complexity:
507
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1ncnc2c1[nH]cn2
Complexity: 190
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1ncnc2c1[nH]cn2
Complexity:
190
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51054
ChemicalName: Methyl 3-bromo-5-methylbenzoate
CasNumber: 478375-40-5
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD11007827
Smiles: COC(=O)c1cc(C)cc(c1)Br
Complexity: 170
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB51054
ChemicalName:
Methyl 3-bromo-5-methylbenzoate
CasNumber:
478375-40-5
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD11007827
Smiles:
COC(=O)c1cc(C)cc(c1)Br
Complexity:
170
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AB51055
ChemicalName: 4(3H)-Pyrimidinone
CasNumber: 4562-27-0
MolecularFormula: C4H4N2O
MolecularWeight: 96.08736
MdlNumber: MFCD22042702
Smiles: O=c1ccnc[nH]1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB51055
ChemicalName:
4(3H)-Pyrimidinone
CasNumber:
4562-27-0
MolecularFormula:
C4H4N2O
MolecularWeight:
96.08736
MdlNumber:
MFCD22042702
Smiles:
O=c1ccnc[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__