AD21384
253120-47-7 | 2-Amino-isophthalic acid monomethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AD21384
ChemicalName
2-Amino-isophthalic acid monomethyl ester
CasNumber
253120-47-7
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD06200897
Smiles
COC(=O)c1cccc(c1N)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AD21384
ChemicalName: 2-Amino-isophthalic acid monomethyl ester
CasNumber: 253120-47-7
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD06200897
Smiles: COC(=O)c1cccc(c1N)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AD21384
ChemicalName:
2-Amino-isophthalic acid monomethyl ester
CasNumber:
253120-47-7
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD06200897
Smiles:
COC(=O)c1cccc(c1N)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN(CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)ccc1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)ccc1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F
Complexity: 361
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)Nc1sc(cc1C(=O)N)c1ccc(cc1)F
Complexity:
361
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7