AE36775
142667-06-9 | 2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AE36775
ChemicalName
2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid
CasNumber
142667-06-9
MolecularFormula
C8H8O4S
MolecularWeight
200.2117
MdlNumber
MFCD13195081
Smiles
COC(=O)c1ccc(s1)CC(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.3
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CatalogNumber: AE36775
ChemicalName: 2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid
CasNumber: 142667-06-9
MolecularFormula: C8H8O4S
MolecularWeight: 200.2117
MdlNumber: MFCD13195081
Smiles: COC(=O)c1ccc(s1)CC(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.3
CatalogNumber:
AE36775
ChemicalName:
2-(5-(Methoxycarbonyl)thiophen-2-yl)acetic acid
CasNumber:
142667-06-9
MolecularFormula:
C8H8O4S
MolecularWeight:
200.2117
MdlNumber:
MFCD13195081
Smiles:
COC(=O)c1ccc(s1)CC(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.3
CatalogNumber: AE36777
ChemicalName: 3-Methoxy-2-nitrobenzonitrile
CasNumber: 142596-50-7
MolecularFormula: C8H6N2O3
MolecularWeight: 178.1448
MdlNumber: MFCD18382535
Smiles: COc1cccc(c1[N+](=O)[O-])C#N
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AE36777
ChemicalName:
3-Methoxy-2-nitrobenzonitrile
CasNumber:
142596-50-7
MolecularFormula:
C8H6N2O3
MolecularWeight:
178.1448
MdlNumber:
MFCD18382535
Smiles:
COc1cccc(c1[N+](=O)[O-])C#N
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1c(C)c[nH]2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1c(C)c[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1c[nH]c2c1c(Cl)ccn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c[nH]c2c1c(Cl)ccn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__