AB45344
31872-98-7 | (S)-2-Amino-5-methylhexanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45344
ChemicalName
(S)-2-Amino-5-methylhexanoic acid
CasNumber
31872-98-7
MolecularFormula
C7H15NO2
MolecularWeight
145.1995
MdlNumber
MFCD03788077
Smiles
N[C@H](C(=O)O)CCC(C)C
Complexity
112
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-1.3
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CatalogNumber: AB45344
ChemicalName: (S)-2-Amino-5-methylhexanoic acid
CasNumber: 31872-98-7
MolecularFormula: C7H15NO2
MolecularWeight: 145.1995
MdlNumber: MFCD03788077
Smiles: N[C@H](C(=O)O)CCC(C)C
Complexity: 112
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -1.3
CatalogNumber:
AB45344
ChemicalName:
(S)-2-Amino-5-methylhexanoic acid
CasNumber:
31872-98-7
MolecularFormula:
C7H15NO2
MolecularWeight:
145.1995
MdlNumber:
MFCD03788077
Smiles:
N[C@H](C(=O)O)CCC(C)C
Complexity:
112
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45346
ChemicalName: 5-Methylthiophene-2-boronic acid
CasNumber: 162607-20-7
MolecularFormula: C5H7BO2S
MolecularWeight: 141.9839
MdlNumber: MFCD01318166
Smiles: OB(c1ccc(s1)C)O
Complexity: 99
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB45346
ChemicalName:
5-Methylthiophene-2-boronic acid
CasNumber:
162607-20-7
MolecularFormula:
C5H7BO2S
MolecularWeight:
141.9839
MdlNumber:
MFCD01318166
Smiles:
OB(c1ccc(s1)C)O
Complexity:
99
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB45347
ChemicalName: 4-Nitrophthalonitrile
CasNumber: 31643-49-9
MolecularFormula: C8H3N3O2
MolecularWeight: 173.1283
MdlNumber: MFCD00040301
Smiles: N#Cc1cc(ccc1C#N)[N+](=O)[O-]
Complexity: 302
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AB45347
ChemicalName:
4-Nitrophthalonitrile
CasNumber:
31643-49-9
MolecularFormula:
C8H3N3O2
MolecularWeight:
173.1283
MdlNumber:
MFCD00040301
Smiles:
N#Cc1cc(ccc1C#N)[N+](=O)[O-]
Complexity:
302
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2