AB62725
498-23-7 | (2Z)-2-methylbut-2-enedioic acid
Manufacturer: A2B Chem
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CatalogNumber
AB62725
ChemicalName
(2Z)-2-methylbut-2-enedioic acid
CasNumber
498-23-7
MolecularFormula
C5H6O4
MolecularWeight
130.09874
MdlNumber
MFCD00078086
Smiles
OC(=O)/C=C(\C(=O)O)/C
Complexity
168
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AB62725
ChemicalName: (2Z)-2-methylbut-2-enedioic acid
CasNumber: 498-23-7
MolecularFormula: C5H6O4
MolecularWeight: 130.09874
MdlNumber: MFCD00078086
Smiles: OC(=O)/C=C(\C(=O)O)/C
Complexity: 168
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AB62725
ChemicalName:
(2Z)-2-methylbut-2-enedioic acid
CasNumber:
498-23-7
MolecularFormula:
C5H6O4
MolecularWeight:
130.09874
MdlNumber:
MFCD00078086
Smiles:
OC(=O)/C=C(\C(=O)O)/C
Complexity:
168
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)N)C(=O)N
Complexity: __
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DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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__
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Smiles:
CC(C(=O)N)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
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DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C=Nc1cccc(c1C)N=C=O
Complexity: __
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Xlogp3: __
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Smiles:
O=C=Nc1cccc(c1C)N=C=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1nc2c(o1)ccc1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc2c(o1)ccc1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__