AC22961
85743-02-8 | 2-Amino-4-(methoxycarbonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AC22961
ChemicalName
2-Amino-4-(methoxycarbonyl)benzoic acid
CasNumber
85743-02-8
MolecularFormula
C9H9NO4
MolecularWeight
195.17206000000004
MdlNumber
MFCD08690068
Smiles
COC(=O)c1ccc(c(c1)N)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AC22961
ChemicalName: 2-Amino-4-(methoxycarbonyl)benzoic acid
CasNumber: 85743-02-8
MolecularFormula: C9H9NO4
MolecularWeight: 195.17206000000004
MdlNumber: MFCD08690068
Smiles: COC(=O)c1ccc(c(c1)N)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AC22961
ChemicalName:
2-Amino-4-(methoxycarbonyl)benzoic acid
CasNumber:
85743-02-8
MolecularFormula:
C9H9NO4
MolecularWeight:
195.17206000000004
MdlNumber:
MFCD08690068
Smiles:
COC(=O)c1ccc(c(c1)N)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9
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Smiles: FC(=C(OC(C(Br)(F)F)(F)F)F)F
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Smiles:
FC(=C(OC(C(Br)(F)F)(F)F)F)F
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]cnc2=O.[Li]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1C(COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC(C1O)n1cnc2c1[nH]cnc2=O.[Li]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__