AG32382
5548-09-4 | Methyl 3-(1h-indol-3-yl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AG32382
ChemicalName
Methyl 3-(1h-indol-3-yl)propanoate
CasNumber
5548-09-4
MolecularFormula
C12H13NO2
MolecularWeight
203.23711999999998
MdlNumber
MFCD00022778
Smiles
COC(=O)CCc1c[nH]c2c1cccc2
NscNumber
56004
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AG32382
ChemicalName: Methyl 3-(1h-indol-3-yl)propanoate
CasNumber: 5548-09-4
MolecularFormula: C12H13NO2
MolecularWeight: 203.23711999999998
MdlNumber: MFCD00022778
Smiles: COC(=O)CCc1c[nH]c2c1cccc2
NscNumber: 56004
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AG32382
ChemicalName:
Methyl 3-(1h-indol-3-yl)propanoate
CasNumber:
5548-09-4
MolecularFormula:
C12H13NO2
MolecularWeight:
203.23711999999998
MdlNumber:
MFCD00022778
Smiles:
COC(=O)CCc1c[nH]c2c1cccc2
NscNumber:
56004
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
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Smiles: N#CC1=C(O)CCCC1
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Smiles:
N#CC1=C(O)CCCC1
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Smiles: Cc1[nH]c(=O)n2c(n1)c(Br)c(n2)C
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Smiles:
Cc1[nH]c(=O)n2c(n1)c(Br)c(n2)C
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Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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__
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Smiles: CNc1ccc(cc1[N+](=O)[O-])C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1ccc(cc1[N+](=O)[O-])C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__