AB45533
884-33-3 | 2-Benzylsuccinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45533
ChemicalName
2-Benzylsuccinic acid
CasNumber
884-33-3
MolecularFormula
C11H12O4
MolecularWeight
208.2106
MdlNumber
MFCD00055798
Smiles
OC(=O)C(Cc1ccccc1)CC(=O)O
NscNumber
20708
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AB45533
ChemicalName: 2-Benzylsuccinic acid
CasNumber: 884-33-3
MolecularFormula: C11H12O4
MolecularWeight: 208.2106
MdlNumber: MFCD00055798
Smiles: OC(=O)C(Cc1ccccc1)CC(=O)O
NscNumber: 20708
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AB45533
ChemicalName:
2-Benzylsuccinic acid
CasNumber:
884-33-3
MolecularFormula:
C11H12O4
MolecularWeight:
208.2106
MdlNumber:
MFCD00055798
Smiles:
OC(=O)C(Cc1ccccc1)CC(=O)O
NscNumber:
20708
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=CCCC(C1CCC(=CC1)C)(O)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=CCCC(C1CCC(=CC1)C)(O)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)C(c1ccccc1)C1CCCCN1
NscNumber: __
Complexity: 236
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C(c1ccccc1)C1CCCCN1
NscNumber:
__
Complexity:
236
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.8
CatalogNumber: AB45536
ChemicalName: Altretamine
CasNumber: 645-05-6
MolecularFormula: C9H18N6
MolecularWeight: 210.2794
MdlNumber: MFCD00549245
Smiles: CN(c1nc(nc(n1)N(C)C)N(C)C)C
NscNumber: __
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
AB45536
ChemicalName:
Altretamine
CasNumber:
645-05-6
MolecularFormula:
C9H18N6
MolecularWeight:
210.2794
MdlNumber:
MFCD00549245
Smiles:
CN(c1nc(nc(n1)N(C)C)N(C)C)C
NscNumber:
__
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7