AI52458
55555-33-4 | 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1h-2-benzopyran-1-one
Manufacturer: A2B Chem
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CatalogNumber
AI52458
ChemicalName
3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1h-2-benzopyran-1-one
CasNumber
55555-33-4
MolecularFormula
C16H14O5
MolecularWeight
286.2794
MdlNumber
MFCD28384125
Smiles
COc1ccc(cc1O)C1OC(=O)c2c(C1)cccc2O
Complexity
385
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AI52458
ChemicalName: 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1h-2-benzopyran-1-one
CasNumber: 55555-33-4
MolecularFormula: C16H14O5
MolecularWeight: 286.2794
MdlNumber: MFCD28384125
Smiles: COc1ccc(cc1O)C1OC(=O)c2c(C1)cccc2O
Complexity: 385
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AI52458
ChemicalName:
3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1h-2-benzopyran-1-one
CasNumber:
55555-33-4
MolecularFormula:
C16H14O5
MolecularWeight:
286.2794
MdlNumber:
MFCD28384125
Smiles:
COc1ccc(cc1O)C1OC(=O)c2c(C1)cccc2O
Complexity:
385
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
CatalogNumber: AI52459
ChemicalName: t-Butyl methyl fumarate
CasNumber: 55556-66-6
MolecularFormula: C9H14O4
MolecularWeight: 186.2051
MdlNumber: MFCD26383412
Smiles: COC(=O)/C=C/C(=O)OC(C)(C)C
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AI52459
ChemicalName:
t-Butyl methyl fumarate
CasNumber:
55556-66-6
MolecularFormula:
C9H14O4
MolecularWeight:
186.2051
MdlNumber:
MFCD26383412
Smiles:
COC(=O)/C=C/C(=O)OC(C)(C)C
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc2c1onc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc2c1onc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)[O-].OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__