AB44209
492-38-6 | Atropic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44209
ChemicalName
Atropic acid
CasNumber
492-38-6
MolecularFormula
C9H8O2
MolecularWeight
148.1586
MdlNumber
MFCD00046531
Smiles
C=C(c1ccccc1)C(=O)O
NscNumber
20987
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB44209
ChemicalName: Atropic acid
CasNumber: 492-38-6
MolecularFormula: C9H8O2
MolecularWeight: 148.1586
MdlNumber: MFCD00046531
Smiles: C=C(c1ccccc1)C(=O)O
NscNumber: 20987
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB44209
ChemicalName:
Atropic acid
CasNumber:
492-38-6
MolecularFormula:
C9H8O2
MolecularWeight:
148.1586
MdlNumber:
MFCD00046531
Smiles:
C=C(c1ccccc1)C(=O)O
NscNumber:
20987
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB44210
ChemicalName: 2-Phenylbenzimidazole
CasNumber: 716-79-0
MolecularFormula: C13H10N2
MolecularWeight: 194.2319
MdlNumber: MFCD00005592
Smiles: c1ccc(cc1)c1nc2c([nH]1)cccc2
NscNumber: 251956
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AB44210
ChemicalName:
2-Phenylbenzimidazole
CasNumber:
716-79-0
MolecularFormula:
C13H10N2
MolecularWeight:
194.2319
MdlNumber:
MFCD00005592
Smiles:
c1ccc(cc1)c1nc2c([nH]1)cccc2
NscNumber:
251956
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AB44211
ChemicalName: 2-Phenylethanol
CasNumber: 60-12-8
MolecularFormula: C8H10O
MolecularWeight: 122.1644
MdlNumber: MFCD00002886
Smiles: OCCc1ccccc1
NscNumber: __
Complexity: 65
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB44211
ChemicalName:
2-Phenylethanol
CasNumber:
60-12-8
MolecularFormula:
C8H10O
MolecularWeight:
122.1644
MdlNumber:
MFCD00002886
Smiles:
OCCc1ccccc1
NscNumber:
__
Complexity:
65
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]c1ccccc1c1ccccc1.[Na+].O.O.O.O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]c1ccccc1c1ccccc1.[Na+].O.O.O.O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__