AI45660
24276-84-4 | sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manufacturer: A2B Chem
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CatalogNumber
AI45660
ChemicalName
sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CasNumber
24276-84-4
MolecularFormula
C10H9NaO4
MolecularWeight
216.1658
MdlNumber
MFCD01862433
Smiles
COc1cc(C=CC(=O)[O-])ccc1O.[Na+]
Complexity
230
Covalently-bondedUnitCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AI45660
ChemicalName: sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CasNumber: 24276-84-4
MolecularFormula: C10H9NaO4
MolecularWeight: 216.1658
MdlNumber: MFCD01862433
Smiles: COc1cc(C=CC(=O)[O-])ccc1O.[Na+]
Complexity: 230
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AI45660
ChemicalName:
sodium (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CasNumber:
24276-84-4
MolecularFormula:
C10H9NaO4
MolecularWeight:
216.1658
MdlNumber:
MFCD01862433
Smiles:
COc1cc(C=CC(=O)[O-])ccc1O.[Na+]
Complexity:
230
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(c1ccc(cc1)C=C1C=CC=C1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(c1ccc(cc1)C=C1C=CC=C1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI45662
ChemicalName: (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
CasNumber: 24280-93-1
MolecularFormula: C17H20O6
MolecularWeight: 320.3371
MdlNumber: MFCD00036814
Smiles: COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O
Complexity: 486
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 6
CatalogNumber:
AI45662
ChemicalName:
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
CasNumber:
24280-93-1
MolecularFormula:
C17H20O6
MolecularWeight:
320.3371
MdlNumber:
MFCD00036814
Smiles:
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O
Complexity:
486
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc2n1nnn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc2n1nnn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__