AG81197
5687-78-5 | 3-Cyclopropylacrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG81197
ChemicalName
3-Cyclopropylacrylic acid
CasNumber
5687-78-5
MolecularFormula
C6H8O2
MolecularWeight
112.1265
MdlNumber
MFCD03002773
Smiles
OC(=O)/C=C/C1CC1
Complexity
123
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AG81197
ChemicalName: 3-Cyclopropylacrylic acid
CasNumber: 5687-78-5
MolecularFormula: C6H8O2
MolecularWeight: 112.1265
MdlNumber: MFCD03002773
Smiles: OC(=O)/C=C/C1CC1
Complexity: 123
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AG81197
ChemicalName:
3-Cyclopropylacrylic acid
CasNumber:
5687-78-5
MolecularFormula:
C6H8O2
MolecularWeight:
112.1265
MdlNumber:
MFCD03002773
Smiles:
OC(=O)/C=C/C1CC1
Complexity:
123
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
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Smiles: CCOC(=O)/C(=C\C#N)/[O-].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MdlNumber:
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Smiles:
CCOC(=O)/C(=C\C#N)/[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(c1ccc(c(c1)N)N)OC(C)(C)C
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
O=C(c1ccc(c(c1)N)N)OC(C)(C)C
Complexity:
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(=O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__