AI46954
302-79-4 | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI46954
ChemicalName
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
CasNumber
302-79-4
MolecularFormula
C20H28O2
MolecularWeight
300.4351
MdlNumber
MFCD00001551
Smiles
CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C
Complexity
567
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
4
HeavyAtomCount
22
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
6.3
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CatalogNumber: AI46954
ChemicalName: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
CasNumber: 302-79-4
MolecularFormula: C20H28O2
MolecularWeight: 300.4351
MdlNumber: MFCD00001551
Smiles: CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C
Complexity: 567
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 4
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 6.3
CatalogNumber:
AI46954
ChemicalName:
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
CasNumber:
302-79-4
MolecularFormula:
C20H28O2
MolecularWeight:
300.4351
MdlNumber:
MFCD00001551
Smiles:
CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C
Complexity:
567
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
4
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
6.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
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Smiles: N#Cc1ccc(cc1)Oc1cccc(c1)N
Complexity: __
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Smiles:
N#Cc1ccc(cc1)Oc1cccc(c1)N
Complexity:
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Smiles: O=C1NC(=O)CN1OCc1ccccc1
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Smiles:
O=C1NC(=O)CN1OCc1ccccc1
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Smiles: Cc1ccc2c(n1)c(Cl)nc(n2)Cl
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__
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CasNumber:
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MolecularFormula:
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Smiles:
Cc1ccc2c(n1)c(Cl)nc(n2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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