AF00306
15356-74-8 | (2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
Manufacturer: A2B Chem
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CatalogNumber
AF00306
ChemicalName
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
CasNumber
15356-74-8
MolecularFormula
C11H16O2
MolecularWeight
180.2435
MdlNumber
MFCD06409986
Smiles
O=C1C=C2C(O1)(C)CCCC2(C)C
NscNumber
357087
Complexity
289
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.2
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CatalogNumber: AF00306
ChemicalName: (2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
CasNumber: 15356-74-8
MolecularFormula: C11H16O2
MolecularWeight: 180.2435
MdlNumber: MFCD06409986
Smiles: O=C1C=C2C(O1)(C)CCCC2(C)C
NscNumber: 357087
Complexity: 289
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AF00306
ChemicalName:
(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone
CasNumber:
15356-74-8
MolecularFormula:
C11H16O2
MolecularWeight:
180.2435
MdlNumber:
MFCD06409986
Smiles:
O=C1C=C2C(O1)(C)CCCC2(C)C
NscNumber:
357087
Complexity:
289
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
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Smiles: CCOc1ccc2c(c1C(=O)N[C@@H]1C(=O)N3[C@@H]1SC([C@@H]3C(=O)O)(C)C)cccc2
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Smiles:
CCOc1ccc2c(c1C(=O)N[C@@H]1C(=O)N3[C@@H]1SC([C@@H]3C(=O)O)(C)C)cccc2
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Smiles: Cc1nc2ccsc2c(=O)[nH]1
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Cc1nc2ccsc2c(=O)[nH]1
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Smiles: c1ncc2c(c1)cco2
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Smiles:
c1ncc2c(c1)cco2
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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