AB76261
7338-27-4 | Itaconic acid monomethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB76261
ChemicalName
Itaconic acid monomethyl ester
CasNumber
7338-27-4
MolecularFormula
C6H8O4
MolecularWeight
144.1253
MdlNumber
MFCD00021713
Smiles
COC(=O)CC(=C)C(=O)O
NscNumber
144957
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.2
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CatalogNumber: AB76261
ChemicalName: Itaconic acid monomethyl ester
CasNumber: 7338-27-4
MolecularFormula: C6H8O4
MolecularWeight: 144.1253
MdlNumber: MFCD00021713
Smiles: COC(=O)CC(=C)C(=O)O
NscNumber: 144957
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AB76261
ChemicalName:
Itaconic acid monomethyl ester
CasNumber:
7338-27-4
MolecularFormula:
C6H8O4
MolecularWeight:
144.1253
MdlNumber:
MFCD00021713
Smiles:
COC(=O)CC(=C)C(=O)O
NscNumber:
144957
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC1CCCCC1.NC1CCCCC1.COP(=O)(O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCCC1.NC1CCCCC1.COP(=O)(O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB76263
ChemicalName: Methyl hydrogen phthalate
CasNumber: 4376-18-5
MolecularFormula: C9H8O4
MolecularWeight: 180.15741999999997
MdlNumber: MFCD00002466
Smiles: COC(=O)c1ccccc1C(=O)O
NscNumber: 8281
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB76263
ChemicalName:
Methyl hydrogen phthalate
CasNumber:
4376-18-5
MolecularFormula:
C9H8O4
MolecularWeight:
180.15741999999997
MdlNumber:
MFCD00002466
Smiles:
COC(=O)c1ccccc1C(=O)O
NscNumber:
8281
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: AB76264
ChemicalName: Sebacic acid monomethyl ester
CasNumber: 818-88-2
MolecularFormula: C11H20O4
MolecularWeight: 216.2741
MdlNumber: MFCD00004439
Smiles: COC(=O)CCCCCCCCC(=O)O
NscNumber: __
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 10
Xlogp3: 2.4
CatalogNumber:
AB76264
ChemicalName:
Sebacic acid monomethyl ester
CasNumber:
818-88-2
MolecularFormula:
C11H20O4
MolecularWeight:
216.2741
MdlNumber:
MFCD00004439
Smiles:
COC(=O)CCCCCCCCC(=O)O
NscNumber:
__
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
10
Xlogp3:
2.4