AC32759
81124-50-7 | (E)-3-(Quinolin-2-yl)acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AC32759
ChemicalName
(E)-3-(Quinolin-2-yl)acrylic acid
CasNumber
81124-50-7
MolecularFormula
C12H9NO2
MolecularWeight
199.2054
MdlNumber
MFCD00182035
Smiles
OC(=O)/C=C/c1ccc2c(n1)cccc2
NscNumber
11900
Complexity
262
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AC32759
ChemicalName: (E)-3-(Quinolin-2-yl)acrylic acid
CasNumber: 81124-50-7
MolecularFormula: C12H9NO2
MolecularWeight: 199.2054
MdlNumber: MFCD00182035
Smiles: OC(=O)/C=C/c1ccc2c(n1)cccc2
NscNumber: 11900
Complexity: 262
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AC32759
ChemicalName:
(E)-3-(Quinolin-2-yl)acrylic acid
CasNumber:
81124-50-7
MolecularFormula:
C12H9NO2
MolecularWeight:
199.2054
MdlNumber:
MFCD00182035
Smiles:
OC(=O)/C=C/c1ccc2c(n1)cccc2
NscNumber:
11900
Complexity:
262
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
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Smiles: CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F
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Smiles:
CCCCCCCCCCCCCCCCCC(=O)C(F)(F)F
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Smiles: [O-][Cr](=O)(=O)Cl.CN(c1cc[nH+]cc1)C
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Smiles:
[O-][Cr](=O)(=O)Cl.CN(c1cc[nH+]cc1)C
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Smiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](CC)C)CC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(=O)N
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RotatableBondCount: __
Xlogp3: __
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Smiles:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](CC)C)CC(=O)N)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCN=C(N)N)CC(=O)N
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Complexity:
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DefinedBondStereocenterCount:
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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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