AI50440
4385-35-7 | 3-Isochromanone
Manufacturer: A2B Chem
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CatalogNumber
AI50440
ChemicalName
3-Isochromanone
CasNumber
4385-35-7
MolecularFormula
C9H8O2
MolecularWeight
148.1586
MdlNumber
MFCD00043005
Smiles
O=C1OCc2c(C1)cccc2
NscNumber
160530
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
Xlogp3
1.3
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CatalogNumber: AI50440
ChemicalName: 3-Isochromanone
CasNumber: 4385-35-7
MolecularFormula: C9H8O2
MolecularWeight: 148.1586
MdlNumber: MFCD00043005
Smiles: O=C1OCc2c(C1)cccc2
NscNumber: 160530
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
Xlogp3: 1.3
CatalogNumber:
AI50440
ChemicalName:
3-Isochromanone
CasNumber:
4385-35-7
MolecularFormula:
C9H8O2
MolecularWeight:
148.1586
MdlNumber:
MFCD00043005
Smiles:
O=C1OCc2c(C1)cccc2
NscNumber:
160530
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
Xlogp3:
1.3
CatalogNumber: AI50441
ChemicalName: N,N'-Bis(tert-butoxycarbonyl)-o-phenylenediamine
CasNumber: 438533-54-1
MolecularFormula: C16H24N2O4
MolecularWeight: 308.3728
MdlNumber: MFCD24465598
Smiles: O=C(Nc1ccccc1NC(=O)OC(C)(C)C)OC(C)(C)C
NscNumber: __
Complexity: 358
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
Xlogp3: 3.1
CatalogNumber:
AI50441
ChemicalName:
N,N'-Bis(tert-butoxycarbonyl)-o-phenylenediamine
CasNumber:
438533-54-1
MolecularFormula:
C16H24N2O4
MolecularWeight:
308.3728
MdlNumber:
MFCD24465598
Smiles:
O=C(Nc1ccccc1NC(=O)OC(C)(C)C)OC(C)(C)C
NscNumber:
__
Complexity:
358
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)nc1n(c2=O)CCS1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)nc1n(c2=O)CCS1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C(=O)NC(C(=O)O)CC(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C(=O)NC(C(=O)O)CC(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__