AB75920
79203-77-3 | Methyl 4-thiocyanatobutanoate
Manufacturer: A2B Chem
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CatalogNumber
AB75920
ChemicalName
Methyl 4-thiocyanatobutanoate
CasNumber
79203-77-3
MolecularFormula
C6H9NO2S
MolecularWeight
159.2062
MdlNumber
MFCD15143541
Smiles
N#CSCCCC(=O)OC
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
1.1
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CatalogNumber: AB75920
ChemicalName: Methyl 4-thiocyanatobutanoate
CasNumber: 79203-77-3
MolecularFormula: C6H9NO2S
MolecularWeight: 159.2062
MdlNumber: MFCD15143541
Smiles: N#CSCCCC(=O)OC
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.1
CatalogNumber:
AB75920
ChemicalName:
Methyl 4-thiocyanatobutanoate
CasNumber:
79203-77-3
MolecularFormula:
C6H9NO2S
MolecularWeight:
159.2062
MdlNumber:
MFCD15143541
Smiles:
N#CSCCCC(=O)OC
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.1
CatalogNumber: AB75921
ChemicalName: Methyl 4-vinylbenzoate
CasNumber: 1076-96-6
MolecularFormula: C10H10O2
MolecularWeight: 162.1852
MdlNumber: MFCD00017218
Smiles: COC(=O)c1ccc(cc1)C=C
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AB75921
ChemicalName:
Methyl 4-vinylbenzoate
CasNumber:
1076-96-6
MolecularFormula:
C10H10O2
MolecularWeight:
162.1852
MdlNumber:
MFCD00017218
Smiles:
COC(=O)c1ccc(cc1)C=C
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.1
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Smiles: COC(=O)c1n[nH]c(c1)c1ccc(cc1Cl)Cl
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Smiles:
COC(=O)c1n[nH]c(c1)c1ccc(cc1Cl)Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COC(=O)c1noc(c1)c1ccc(cc1F)F
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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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MdlNumber:
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Smiles:
COC(=O)c1noc(c1)c1ccc(cc1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__