AB76254
626-86-8 | Adipic acid monoethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB76254
ChemicalName
Adipic acid monoethyl ester
CasNumber
626-86-8
MolecularFormula
C8H14O4
MolecularWeight
174.1944
MdlNumber
MFCD00004419
Smiles
CCOC(=O)CCCCC(=O)O
NscNumber
8877
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
0.6
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CatalogNumber: AB76254
ChemicalName: Adipic acid monoethyl ester
CasNumber: 626-86-8
MolecularFormula: C8H14O4
MolecularWeight: 174.1944
MdlNumber: MFCD00004419
Smiles: CCOC(=O)CCCCC(=O)O
NscNumber: 8877
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 0.6
CatalogNumber:
AB76254
ChemicalName:
Adipic acid monoethyl ester
CasNumber:
626-86-8
MolecularFormula:
C8H14O4
MolecularWeight:
174.1944
MdlNumber:
MFCD00004419
Smiles:
CCOC(=O)CCCCC(=O)O
NscNumber:
8877
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(CCCCCCCCCC(=O)O)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(CCCCCCCCCC(=O)O)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C=CC(=O)O
NscNumber: __
Complexity: 159
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C=CC(=O)O
NscNumber:
__
Complexity:
159
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2
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
NscNumber: __
Complexity: 181
Covalently-bondedUnitCount: 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
NscNumber:
__
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.7