AA24981
122763-67-1 | tert-Butyl 3-hydroxypent-4-enoate
Manufacturer: A2B Chem
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CatalogNumber
AA24981
ChemicalName
tert-Butyl 3-hydroxypent-4-enoate
CasNumber
122763-67-1
MolecularFormula
C9H16O3
MolecularWeight
172.2215
MdlNumber
MFCD18207180
Smiles
C=CC(CC(=O)OC(C)(C)C)O
Complexity
167
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AA24981
ChemicalName: tert-Butyl 3-hydroxypent-4-enoate
CasNumber: 122763-67-1
MolecularFormula: C9H16O3
MolecularWeight: 172.2215
MdlNumber: MFCD18207180
Smiles: C=CC(CC(=O)OC(C)(C)C)O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AA24981
ChemicalName:
tert-Butyl 3-hydroxypent-4-enoate
CasNumber:
122763-67-1
MolecularFormula:
C9H16O3
MolecularWeight:
172.2215
MdlNumber:
MFCD18207180
Smiles:
C=CC(CC(=O)OC(C)(C)C)O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
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Smiles: Brc1cc2cc(O)c(cc2cc1O)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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Smiles:
Brc1cc2cc(O)c(cc2cc1O)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OC(CN(Cc1c(C)nn(c1C)Cc1ccccc1)C)COc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(CN(Cc1c(C)nn(c1C)Cc1ccccc1)C)COc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C(Cc1cscc1)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C(Cc1cscc1)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__