AB45316
2396-80-7 | 5-Hexenoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB45316
ChemicalName
5-Hexenoic acid methyl ester
CasNumber
2396-80-7
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD01757393
Smiles
C=CCCCC(=O)OC
Complexity
97.1
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
RotatableBondCount
5
Xlogp3
1.9
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CatalogNumber: AB45316
ChemicalName: 5-Hexenoic acid methyl ester
CasNumber: 2396-80-7
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD01757393
Smiles: C=CCCCC(=O)OC
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AB45316
ChemicalName:
5-Hexenoic acid methyl ester
CasNumber:
2396-80-7
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD01757393
Smiles:
C=CCCCC(=O)OC
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: AB45317
ChemicalName: 5-Hexyn-1-ol
CasNumber: 928-90-5
MolecularFormula: C6H10O
MolecularWeight: 98.143
MdlNumber: MFCD00002980
Smiles: OCCCCC#C
Complexity: 67.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB45317
ChemicalName:
5-Hexyn-1-ol
CasNumber:
928-90-5
MolecularFormula:
C6H10O
MolecularWeight:
98.143
MdlNumber:
MFCD00002980
Smiles:
OCCCCC#C
Complexity:
67.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB45318
ChemicalName: 5-Hexynoic acid
CasNumber: 53293-00-8
MolecularFormula: C6H8O2
MolecularWeight: 112.1265
MdlNumber: MFCD00066346
Smiles: C#CCCCC(=O)O
Complexity: 118
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB45318
ChemicalName:
5-Hexynoic acid
CasNumber:
53293-00-8
MolecularFormula:
C6H8O2
MolecularWeight:
112.1265
MdlNumber:
MFCD00066346
Smiles:
C#CCCCC(=O)O
Complexity:
118
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
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Smiles: O=C1C=CC(=O)c2c1c(O)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C1C=CC(=O)c2c1c(O)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__