AG21315
5454-78-4 | 2-Methylcyclopentanecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG21315
ChemicalName
2-Methylcyclopentanecarboxylic acid
CasNumber
5454-78-4
MolecularFormula
C7H12O2
MolecularWeight
128.169
MdlNumber
MFCD11655621
Smiles
CC1CCCC1C(=O)O
NscNumber
23233
Complexity
120
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
2
Xlogp3
1.8
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CatalogNumber: AG21315
ChemicalName: 2-Methylcyclopentanecarboxylic acid
CasNumber: 5454-78-4
MolecularFormula: C7H12O2
MolecularWeight: 128.169
MdlNumber: MFCD11655621
Smiles: CC1CCCC1C(=O)O
NscNumber: 23233
Complexity: 120
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 2
Xlogp3: 1.8
CatalogNumber:
AG21315
ChemicalName:
2-Methylcyclopentanecarboxylic acid
CasNumber:
5454-78-4
MolecularFormula:
C7H12O2
MolecularWeight:
128.169
MdlNumber:
MFCD11655621
Smiles:
CC1CCCC1C(=O)O
NscNumber:
23233
Complexity:
120
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
2
Xlogp3:
1.8
CatalogNumber: AG21316
ChemicalName: 5-Methylpyrimidin-2-amine
CasNumber: 50840-23-8
MolecularFormula: C5H7N3
MolecularWeight: 109.12917999999999
MdlNumber: MFCD00463477
Smiles: Cc1cnc(nc1)N
NscNumber: __
Complexity: 66.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.2
CatalogNumber:
AG21316
ChemicalName:
5-Methylpyrimidin-2-amine
CasNumber:
50840-23-8
MolecularFormula:
C5H7N3
MolecularWeight:
109.12917999999999
MdlNumber:
MFCD00463477
Smiles:
Cc1cnc(nc1)N
NscNumber:
__
Complexity:
66.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AG21319
ChemicalName: Kaempferitrin
CasNumber: 482-38-2
MolecularFormula: C27H30O14
MolecularWeight: 578.5187
MdlNumber: MFCD21333499
Smiles: Oc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
NscNumber: __
Complexity: 968
Covalently-bondedUnitCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 8
RotatableBondCount: 5
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
AG21319
ChemicalName:
Kaempferitrin
CasNumber:
482-38-2
MolecularFormula:
C27H30O14
MolecularWeight:
578.5187
MdlNumber:
MFCD21333499
Smiles:
Oc1ccc(cc1)c1oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2c(=O)c1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O
NscNumber:
__
Complexity:
968
Covalently-bondedUnitCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
8
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1