AC20695
848821-06-7 | 4-Cyano-tetrahydropyran-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC20695
ChemicalName
4-Cyano-tetrahydropyran-4-carboxylic acid
CasNumber
848821-06-7
MolecularFormula
C7H9NO3
MolecularWeight
155.1513
MdlNumber
MFCD09800426
Smiles
N#CC1(CCOCC1)C(=O)O
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.1
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CatalogNumber: AC20695
ChemicalName: 4-Cyano-tetrahydropyran-4-carboxylic acid
CasNumber: 848821-06-7
MolecularFormula: C7H9NO3
MolecularWeight: 155.1513
MdlNumber: MFCD09800426
Smiles: N#CC1(CCOCC1)C(=O)O
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.1
CatalogNumber:
AC20695
ChemicalName:
4-Cyano-tetrahydropyran-4-carboxylic acid
CasNumber:
848821-06-7
MolecularFormula:
C7H9NO3
MolecularWeight:
155.1513
MdlNumber:
MFCD09800426
Smiles:
N#CC1(CCOCC1)C(=O)O
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
Complexity:
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RotatableBondCount:
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Smiles: OCc1cc(C)cc(c1)C(C)(C)C
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Smiles:
OCc1cc(C)cc(c1)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(CCC1CCCCC1)OCCCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(CCC1CCCCC1)OCCCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__