AA85917
16386-93-9 | 2,2-Dimethyl-4-pentenoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA85917
ChemicalName
2,2-Dimethyl-4-pentenoic acid
CasNumber
16386-93-9
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD00012304
Smiles
C=CCC(C(=O)O)(C)C
Complexity
125
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AA85917
ChemicalName: 2,2-Dimethyl-4-pentenoic acid
CasNumber: 16386-93-9
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD00012304
Smiles: C=CCC(C(=O)O)(C)C
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AA85917
ChemicalName:
2,2-Dimethyl-4-pentenoic acid
CasNumber:
16386-93-9
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD00012304
Smiles:
C=CCC(C(=O)O)(C)C
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CN1CCC(=C2c3ccccc3Sc3c2cc(Br)cc3)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
CN1CCC(=C2c3ccccc3Sc3c2cc(Br)cc3)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1cccc(c1N)c1c[nH]cc1Cl
Complexity: __
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MolecularFormula:
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Smiles:
Clc1cccc(c1N)c1c[nH]cc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
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__
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Smiles: O=C(c1ccccc1)Oc1ccc2c(c1)OCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccccc1)Oc1ccc2c(c1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__