AB76257
7529-87-5 | Monoisopropyl fumarate
Manufacturer: A2B Chem
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CatalogNumber
AB76257
ChemicalName
Monoisopropyl fumarate
CasNumber
7529-87-5
MolecularFormula
C7H10O4
MolecularWeight
158.1519
MdlNumber
MFCD09038538
Smiles
CC(OC(=O)/C=C/C(=O)O)C
Complexity
181
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.7
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CatalogNumber: AB76257
ChemicalName: Monoisopropyl fumarate
CasNumber: 7529-87-5
MolecularFormula: C7H10O4
MolecularWeight: 158.1519
MdlNumber: MFCD09038538
Smiles: CC(OC(=O)/C=C/C(=O)O)C
Complexity: 181
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB76257
ChemicalName:
Monoisopropyl fumarate
CasNumber:
7529-87-5
MolecularFormula:
C7H10O4
MolecularWeight:
158.1519
MdlNumber:
MFCD09038538
Smiles:
CC(OC(=O)/C=C/C(=O)O)C
Complexity:
181
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCC(=O)OCC(CO)O
Complexity: 206
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCC(=O)OCC(CO)O
Complexity:
206
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AB76259
ChemicalName: Monolithium 4-methoxypyridine-3-boronate
CasNumber: 1072946-24-7
MolecularFormula: C6H7BLiNO3
MolecularWeight: 158.8767
MdlNumber: MFCD10699631
Smiles: COc1ccncc1B(O)[O-].[Li+]
Complexity: 129
Covalently-bondedUnitCount: 2
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB76259
ChemicalName:
Monolithium 4-methoxypyridine-3-boronate
CasNumber:
1072946-24-7
MolecularFormula:
C6H7BLiNO3
MolecularWeight:
158.8767
MdlNumber:
MFCD10699631
Smiles:
COc1ccncc1B(O)[O-].[Li+]
Complexity:
129
Covalently-bondedUnitCount:
2
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB76260
ChemicalName: Mono-methyl isophthalate
CasNumber: 1877-71-0
MolecularFormula: C9H8O4
MolecularWeight: 180.15741999999997
MdlNumber: MFCD00029972
Smiles: COC(=O)c1cccc(c1)C(=O)O
Complexity: 212
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AB76260
ChemicalName:
Mono-methyl isophthalate
CasNumber:
1877-71-0
MolecularFormula:
C9H8O4
MolecularWeight:
180.15741999999997
MdlNumber:
MFCD00029972
Smiles:
COC(=O)c1cccc(c1)C(=O)O
Complexity:
212
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8