AB76077
39830-66-5 | Methyl indole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB76077
ChemicalName
Methyl indole-4-carboxylate
CasNumber
39830-66-5
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD00191222
Smiles
COC(=O)c1cccc2c1cc[nH]2
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB76077
ChemicalName: Methyl indole-4-carboxylate
CasNumber: 39830-66-5
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD00191222
Smiles: COC(=O)c1cccc2c1cc[nH]2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB76077
ChemicalName:
Methyl indole-4-carboxylate
CasNumber:
39830-66-5
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD00191222
Smiles:
COC(=O)c1cccc2c1cc[nH]2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AB76078
ChemicalName: Methyl indole-6-carboxylate
CasNumber: 50820-65-0
MolecularFormula: C10H9NO2
MolecularWeight: 175.18395999999998
MdlNumber: MFCD00211063
Smiles: COC(=O)c1ccc2c(c1)[nH]cc2
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB76078
ChemicalName:
Methyl indole-6-carboxylate
CasNumber:
50820-65-0
MolecularFormula:
C10H9NO2
MolecularWeight:
175.18395999999998
MdlNumber:
MFCD00211063
Smiles:
COC(=O)c1ccc2c(c1)[nH]cc2
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AB76079
ChemicalName: methyl 4-methyl-3-oxopentanoate
CasNumber: 42558-54-3
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD00040499
Smiles: COC(=O)CC(=O)C(C)C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 1
CatalogNumber:
AB76079
ChemicalName:
methyl 4-methyl-3-oxopentanoate
CasNumber:
42558-54-3
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD00040499
Smiles:
COC(=O)CC(=O)C(C)C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)N=C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)N=C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__