AB69509
7170-40-3 | 5-Phenoxy-n-valeric acid
Manufacturer: A2B Chem
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CatalogNumber
AB69509
ChemicalName
5-Phenoxy-n-valeric acid
CasNumber
7170-40-3
MolecularFormula
C11H14O3
MolecularWeight
194.2271
MdlNumber
MFCD02093487
Smiles
OC(=O)CCCCOc1ccccc1
NscNumber
192711
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
2.1
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CatalogNumber: AB69509
ChemicalName: 5-Phenoxy-n-valeric acid
CasNumber: 7170-40-3
MolecularFormula: C11H14O3
MolecularWeight: 194.2271
MdlNumber: MFCD02093487
Smiles: OC(=O)CCCCOc1ccccc1
NscNumber: 192711
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 2.1
CatalogNumber:
AB69509
ChemicalName:
5-Phenoxy-n-valeric acid
CasNumber:
7170-40-3
MolecularFormula:
C11H14O3
MolecularWeight:
194.2271
MdlNumber:
MFCD02093487
Smiles:
OC(=O)CCCCOc1ccccc1
NscNumber:
192711
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=c1[nH]nc(o1)c1ccccc1
NscNumber: __
Complexity: 221
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
S=c1[nH]nc(o1)c1ccccc1
NscNumber:
__
Complexity:
221
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Sc1n[nH]c(n1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Sc1n[nH]c(n1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/C(=C/c1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=C/1Oc2c(N1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1.[Na+]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC/C(=C/c1oc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)/C=C/1Oc2c(N1CCCS(=O)(=O)[O-])cc(cc2)c1ccccc1.[Na+]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__