AE25828
1147732-37-3 | (R)-3-(4-Hydroxyphenyl)hex-4-ynoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE25828
ChemicalName
(R)-3-(4-Hydroxyphenyl)hex-4-ynoic acid
CasNumber
1147732-37-3
MolecularFormula
C12H12O3
MolecularWeight
204.2219
MdlNumber
MFCD30489239
Smiles
CC#C[C@@H](c1ccc(cc1)O)CC(=O)O
Complexity
276
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AE25828
ChemicalName: (R)-3-(4-Hydroxyphenyl)hex-4-ynoic acid
CasNumber: 1147732-37-3
MolecularFormula: C12H12O3
MolecularWeight: 204.2219
MdlNumber: MFCD30489239
Smiles: CC#C[C@@H](c1ccc(cc1)O)CC(=O)O
Complexity: 276
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AE25828
ChemicalName:
(R)-3-(4-Hydroxyphenyl)hex-4-ynoic acid
CasNumber:
1147732-37-3
MolecularFormula:
C12H12O3
MolecularWeight:
204.2219
MdlNumber:
MFCD30489239
Smiles:
CC#C[C@@H](c1ccc(cc1)O)CC(=O)O
Complexity:
276
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OB(c1ccncc1C(F)(F)F)O
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
OB(c1ccncc1C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: Cc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)[C@H]1NC2CCC1CC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1NC2CCC1CC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__