AG66326
565-63-9 | Angelic acid
Manufacturer: A2B Chem
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CatalogNumber
AG66326
ChemicalName
Angelic acid
CasNumber
565-63-9
MolecularFormula
C5H8O2
MolecularWeight
100.1158
MdlNumber
MFCD00002654
Smiles
C/C(=C/C)/C(=O)O
NscNumber
96885
Complexity
103
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AG66326
ChemicalName: Angelic acid
CasNumber: 565-63-9
MolecularFormula: C5H8O2
MolecularWeight: 100.1158
MdlNumber: MFCD00002654
Smiles: C/C(=C/C)/C(=O)O
NscNumber: 96885
Complexity: 103
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AG66326
ChemicalName:
Angelic acid
CasNumber:
565-63-9
MolecularFormula:
C5H8O2
MolecularWeight:
100.1158
MdlNumber:
MFCD00002654
Smiles:
C/C(=C/C)/C(=O)O
NscNumber:
96885
Complexity:
103
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(O)c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)O)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG66328
ChemicalName: 4-N-Octylbenzonitrile
CasNumber: 60484-68-6
MolecularFormula: C15H21N
MolecularWeight: 215.3339
MdlNumber: MFCD00799351
Smiles: CCCCCCCCc1ccc(cc1)C#N
NscNumber: __
Complexity: 205
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 5.4
CatalogNumber:
AG66328
ChemicalName:
4-N-Octylbenzonitrile
CasNumber:
60484-68-6
MolecularFormula:
C15H21N
MolecularWeight:
215.3339
MdlNumber:
MFCD00799351
Smiles:
CCCCCCCCc1ccc(cc1)C#N
NscNumber:
__
Complexity:
205
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
5.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C(=O)O)c(cc1OC)I
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C(=O)O)c(cc1OC)I
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__