AB76260
1877-71-0 | Mono-methyl isophthalate
Manufacturer: A2B Chem
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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
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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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
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
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
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
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
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
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC1CCCCC1.NC1CCCCC1.COP(=O)(O)O
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
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
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.1