AC45361
78564-10-0 | 2-Methyl-1h-indole-3-acetic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC45361
ChemicalName
2-Methyl-1h-indole-3-acetic acid methyl ester
CasNumber
78564-10-0
MolecularFormula
C12H13NO2
MolecularWeight
203.2371
MdlNumber
MFCD11486692
Smiles
COC(=O)Cc1c(C)[nH]c2c1cccc2
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AC45361
ChemicalName: 2-Methyl-1h-indole-3-acetic acid methyl ester
CasNumber: 78564-10-0
MolecularFormula: C12H13NO2
MolecularWeight: 203.2371
MdlNumber: MFCD11486692
Smiles: COC(=O)Cc1c(C)[nH]c2c1cccc2
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AC45361
ChemicalName:
2-Methyl-1h-indole-3-acetic acid methyl ester
CasNumber:
78564-10-0
MolecularFormula:
C12H13NO2
MolecularWeight:
203.2371
MdlNumber:
MFCD11486692
Smiles:
COC(=O)Cc1c(C)[nH]c2c1cccc2
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC(c1ccccc1)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#CC(c1ccccc1)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: O=CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(c1ccc(cc1)OCCCOc1ccc(cc1)C(C(=O)O)CC(=O)O)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(c1ccc(cc1)OCCCOc1ccc(cc1)C(C(=O)O)CC(=O)O)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__