AC57927
6968-35-0 | 7-Hydroxy-1-indanone
Manufacturer: A2B Chem
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CatalogNumber
AC57927
ChemicalName
7-Hydroxy-1-indanone
CasNumber
6968-35-0
MolecularFormula
C9H8O2
MolecularWeight
148.15862
MdlNumber
MFCD01548387
Smiles
O=C1CCc2c1c(O)ccc2
NscNumber
64459
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
Xlogp3
1.9
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CatalogNumber: AC57927
ChemicalName: 7-Hydroxy-1-indanone
CasNumber: 6968-35-0
MolecularFormula: C9H8O2
MolecularWeight: 148.15862
MdlNumber: MFCD01548387
Smiles: O=C1CCc2c1c(O)ccc2
NscNumber: 64459
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
Xlogp3: 1.9
CatalogNumber:
AC57927
ChemicalName:
7-Hydroxy-1-indanone
CasNumber:
6968-35-0
MolecularFormula:
C9H8O2
MolecularWeight:
148.15862
MdlNumber:
MFCD01548387
Smiles:
O=C1CCc2c1c(O)ccc2
NscNumber:
64459
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(ccc1N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(ccc1N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N/N=C1/C=Cc2c(C1=O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AC57929
ChemicalName: 2,4-Diamino-6-fluoropyrimidine
CasNumber: 696-83-3
MolecularFormula: C4H5FN4
MolecularWeight: 128.1077
MdlNumber: MFCD00219492
Smiles: Nc1cc(F)nc(n1)N
NscNumber: 527000
Complexity: 98.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
Xlogp3: -0.1
CatalogNumber:
AC57929
ChemicalName:
2,4-Diamino-6-fluoropyrimidine
CasNumber:
696-83-3
MolecularFormula:
C4H5FN4
MolecularWeight:
128.1077
MdlNumber:
MFCD00219492
Smiles:
Nc1cc(F)nc(n1)N
NscNumber:
527000
Complexity:
98.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
Xlogp3:
-0.1
CatalogNumber: AC57931
ChemicalName: 3-Amino-4-nitrobenzoic acid
CasNumber: 6968-22-5
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD01806270
Smiles: OC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
NscNumber: 20672
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
Xlogp3: 1.7
CatalogNumber:
AC57931
ChemicalName:
3-Amino-4-nitrobenzoic acid
CasNumber:
6968-22-5
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD01806270
Smiles:
OC(=O)c1ccc(c(c1)N)[N+](=O)[O-]
NscNumber:
20672
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
Xlogp3:
1.7