AF86718
3347-99-7 | 4-Methylisophthalic acid
Manufacturer: A2B Chem
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CatalogNumber
AF86718
ChemicalName
4-Methylisophthalic acid
CasNumber
3347-99-7
MolecularFormula
C9H8O4
MolecularWeight
180.1574
MdlNumber
MFCD09878876
Smiles
OC(=O)c1ccc(c(c1)C(=O)O)C
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AF86718
ChemicalName: 4-Methylisophthalic acid
CasNumber: 3347-99-7
MolecularFormula: C9H8O4
MolecularWeight: 180.1574
MdlNumber: MFCD09878876
Smiles: OC(=O)c1ccc(c(c1)C(=O)O)C
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AF86718
ChemicalName:
4-Methylisophthalic acid
CasNumber:
3347-99-7
MolecularFormula:
C9H8O4
MolecularWeight:
180.1574
MdlNumber:
MFCD09878876
Smiles:
OC(=O)c1ccc(c(c1)C(=O)O)C
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1Cc2c(CC1)[nH]c1c2cc(F)cc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1Cc2c(CC1)[nH]c1c2cc(F)cc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF86721
ChemicalName: N-Methoxy-N-methylformamide
CasNumber: 32117-82-1
MolecularFormula: C3H7NO2
MolecularWeight: 89.0932
MdlNumber: MFCD11226240
Smiles: CN(C=O)OC
Complexity: 46.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: -0.2
CatalogNumber:
AF86721
ChemicalName:
N-Methoxy-N-methylformamide
CasNumber:
32117-82-1
MolecularFormula:
C3H7NO2
MolecularWeight:
89.0932
MdlNumber:
MFCD11226240
Smiles:
CN(C=O)OC
Complexity:
46.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F.CNCC(C(C(C(CO)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CN(C1)c1c(F)cc2c(c1Cl)n(cc(c2=O)C(=O)O)c1nc(N)c(cc1F)F.CNCC(C(C(C(CO)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__