AG17356
51079-10-8 | (1H-Indol-3-yl)-oxo-acetic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AG17356
ChemicalName
(1H-Indol-3-yl)-oxo-acetic acid ethyl ester
CasNumber
51079-10-8
MolecularFormula
C12H11NO3
MolecularWeight
217.2206
MdlNumber
MFCD00085450
Smiles
CCOC(=O)C(=O)c1c[nH]c2c1cccc2
NscNumber
402543
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AG17356
ChemicalName: (1H-Indol-3-yl)-oxo-acetic acid ethyl ester
CasNumber: 51079-10-8
MolecularFormula: C12H11NO3
MolecularWeight: 217.2206
MdlNumber: MFCD00085450
Smiles: CCOC(=O)C(=O)c1c[nH]c2c1cccc2
NscNumber: 402543
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AG17356
ChemicalName:
(1H-Indol-3-yl)-oxo-acetic acid ethyl ester
CasNumber:
51079-10-8
MolecularFormula:
C12H11NO3
MolecularWeight:
217.2206
MdlNumber:
MFCD00085450
Smiles:
CCOC(=O)C(=O)c1c[nH]c2c1cccc2
NscNumber:
402543
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccnc2c1cc(cc2)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccnc2c1cc(cc2)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG17358
ChemicalName: 6,6-Dimethyl-5,7-Dioxaspiro[2.5]Octane-4,8-Dione
CasNumber: 5617-70-9
MolecularFormula: C8H10O4
MolecularWeight: 170.1626
MdlNumber: MFCD00042796
Smiles: O=C1OC(C)(C)OC(=O)C21CC2
NscNumber: __
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AG17358
ChemicalName:
6,6-Dimethyl-5,7-Dioxaspiro[2.5]Octane-4,8-Dione
CasNumber:
5617-70-9
MolecularFormula:
C8H10O4
MolecularWeight:
170.1626
MdlNumber:
MFCD00042796
Smiles:
O=C1OC(C)(C)OC(=O)C21CC2
NscNumber:
__
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)Oc1ccc(cc1)C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)Oc1ccc(cc1)C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__