AH85553
90322-32-0 | 2-Methyl-1,3-benzoxazole-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH85553
ChemicalName
2-Methyl-1,3-benzoxazole-5-carboxylic acid
CasNumber
90322-32-0
MolecularFormula
C9H7NO3
MolecularWeight
177.15678
MdlNumber
MFCD09759125
Smiles
Cc1oc2c(n1)cc(cc2)C(=O)O
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AH85553
ChemicalName: 2-Methyl-1,3-benzoxazole-5-carboxylic acid
CasNumber: 90322-32-0
MolecularFormula: C9H7NO3
MolecularWeight: 177.15678
MdlNumber: MFCD09759125
Smiles: Cc1oc2c(n1)cc(cc2)C(=O)O
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AH85553
ChemicalName:
2-Methyl-1,3-benzoxazole-5-carboxylic acid
CasNumber:
90322-32-0
MolecularFormula:
C9H7NO3
MolecularWeight:
177.15678
MdlNumber:
MFCD09759125
Smiles:
Cc1oc2c(n1)cc(cc2)C(=O)O
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCn2c(CC1)nnc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCn2c(CC1)nnc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1nsc(c1)N)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1nsc(c1)N)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH85556
ChemicalName: 2,3-Cyclopentenopyridine N-oxide
CasNumber: 90685-58-8
MolecularFormula: C8H9NO
MolecularWeight: 135.1632
MdlNumber: MFCD11110318
Smiles: [O-][n+]1cccc2c1CCC2
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AH85556
ChemicalName:
2,3-Cyclopentenopyridine N-oxide
CasNumber:
90685-58-8
MolecularFormula:
C8H9NO
MolecularWeight:
135.1632
MdlNumber:
MFCD11110318
Smiles:
[O-][n+]1cccc2c1CCC2
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5