AD10320
99-68-3 | 2-((Carboxymethyl)thio)succinic acid
Manufacturer: A2B Chem
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CatalogNumber
AD10320
ChemicalName
2-((Carboxymethyl)thio)succinic acid
CasNumber
99-68-3
MolecularFormula
C6H8O6S
MolecularWeight
208.1891
MdlNumber
MFCD00002720
Smiles
OC(=O)CSC(C(=O)O)CC(=O)O
NscNumber
59711
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
-0.4
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CatalogNumber: AD10320
ChemicalName: 2-((Carboxymethyl)thio)succinic acid
CasNumber: 99-68-3
MolecularFormula: C6H8O6S
MolecularWeight: 208.1891
MdlNumber: MFCD00002720
Smiles: OC(=O)CSC(C(=O)O)CC(=O)O
NscNumber: 59711
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.4
CatalogNumber:
AD10320
ChemicalName:
2-((Carboxymethyl)thio)succinic acid
CasNumber:
99-68-3
MolecularFormula:
C6H8O6S
MolecularWeight:
208.1891
MdlNumber:
MFCD00002720
Smiles:
OC(=O)CSC(C(=O)O)CC(=O)O
NscNumber:
59711
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.4
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Smiles: CCCc1c(OCCCOc2ccc(cc2)NC(=O)c2nnn[nH]2)ccc(c1O)C(=O)C
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Smiles:
CCCc1c(OCCCOc2ccc(cc2)NC(=O)c2nnn[nH]2)ccc(c1O)C(=O)C
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Smiles: CC(=O)c1oc2c(c1Br)cccc2
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CC(=O)c1oc2c(c1Br)cccc2
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Smiles: CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OC(COC(=O)C=CC=CC=CC=CC=CCCCCCCCCC)COC(=O)C=CC=CC=CC=CC=CCCCCCCCCC
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Smiles:
CCCCCCCCCC=CC=CC=CC=CC=CC(=O)OC(COC(=O)C=CC=CC=CC=CC=CCCCCCCCCC)COC(=O)C=CC=CC=CC=CC=CCCCCCCCCC
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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