AF86492
37949-03-4 | 8,9-Dihydro-5h-benzo[7]annulen-7(6h)-one
Manufacturer: A2B Chem
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CatalogNumber
AF86492
ChemicalName
8,9-Dihydro-5h-benzo[7]annulen-7(6h)-one
CasNumber
37949-03-4
MolecularFormula
C11H12O
MolecularWeight
160.2124
MdlNumber
MFCD09867716
Smiles
O=C1CCc2c(CC1)cccc2
Complexity
156
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
Xlogp3
1.9
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CatalogNumber: AF86492
ChemicalName: 8,9-Dihydro-5h-benzo[7]annulen-7(6h)-one
CasNumber: 37949-03-4
MolecularFormula: C11H12O
MolecularWeight: 160.2124
MdlNumber: MFCD09867716
Smiles: O=C1CCc2c(CC1)cccc2
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
Xlogp3: 1.9
CatalogNumber:
AF86492
ChemicalName:
8,9-Dihydro-5h-benzo[7]annulen-7(6h)-one
CasNumber:
37949-03-4
MolecularFormula:
C11H12O
MolecularWeight:
160.2124
MdlNumber:
MFCD09867716
Smiles:
O=C1CCc2c(CC1)cccc2
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCCCCCn1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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Smiles:
CCCCCCCCn1c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N)CCCCN
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C(C)C)CCCCN)C(C)C)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N)CCCCN
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
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MolecularWeight: __
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Smiles: C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)O)NC(=O)C(CC4C=NC=N4)NC(=O)C(CCC(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
C1=CC=C(C=C1)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)O)NC(=O)C(CC4C=NC=N4)NC(=O)C(CCC(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
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