AG64302
608-08-2 | 3-Acetoxyindole
Manufacturer: A2B Chem
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CatalogNumber
AG64302
ChemicalName
3-Acetoxyindole
CasNumber
608-08-2
MolecularFormula
C10H9NO2
MolecularWeight
175.18395999999998
MdlNumber
MFCD00014561
Smiles
CC(=O)Oc1c[nH]c2c1cccc2
NscNumber
13964
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AG64302
ChemicalName: 3-Acetoxyindole
CasNumber: 608-08-2
MolecularFormula: C10H9NO2
MolecularWeight: 175.18395999999998
MdlNumber: MFCD00014561
Smiles: CC(=O)Oc1c[nH]c2c1cccc2
NscNumber: 13964
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AG64302
ChemicalName:
3-Acetoxyindole
CasNumber:
608-08-2
MolecularFormula:
C10H9NO2
MolecularWeight:
175.18395999999998
MdlNumber:
MFCD00014561
Smiles:
CC(=O)Oc1c[nH]c2c1cccc2
NscNumber:
13964
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)C(=O)C(=O)N1.O.O.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)C(=O)C(=O)N1.O.O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG64304
ChemicalName: Cyanoacetic acid-OSu
CasNumber: 56657-76-2
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD00798802
Smiles: N#CCC(=O)ON1C(=O)CCC1=O
NscNumber: __
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: -0.9
CatalogNumber:
AG64304
ChemicalName:
Cyanoacetic acid-OSu
CasNumber:
56657-76-2
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD00798802
Smiles:
N#CCC(=O)ON1C(=O)CCC1=O
NscNumber:
__
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__