AI47487
320601-71-6 | 3-(Oxolan-3-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI47487
ChemicalName
3-(Oxolan-3-yl)propanoic acid
CasNumber
320601-71-6
MolecularFormula
C7H12O3
MolecularWeight
144.1684
MdlNumber
MFCD16707069
Smiles
OC(=O)CCC1COCC1
NscNumber
139702
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.3
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CatalogNumber: AI47487
ChemicalName: 3-(Oxolan-3-yl)propanoic acid
CasNumber: 320601-71-6
MolecularFormula: C7H12O3
MolecularWeight: 144.1684
MdlNumber: MFCD16707069
Smiles: OC(=O)CCC1COCC1
NscNumber: 139702
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.3
CatalogNumber:
AI47487
ChemicalName:
3-(Oxolan-3-yl)propanoic acid
CasNumber:
320601-71-6
MolecularFormula:
C7H12O3
MolecularWeight:
144.1684
MdlNumber:
MFCD16707069
Smiles:
OC(=O)CCC1COCC1
NscNumber:
139702
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1(C)CC(=C)C1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1(C)CC(=C)C1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI47489
ChemicalName: 3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
CasNumber: 32087-05-1
MolecularFormula: C9H11NO4S
MolecularWeight: 229.25294000000002
MdlNumber: MFCD00121326
Smiles: COC(=O)c1cccc(c1)NS(=O)(=O)C
NscNumber: __
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AI47489
ChemicalName:
3-[(Methylsulfonyl)amino]-benzoic acid methyl ester
CasNumber:
32087-05-1
MolecularFormula:
C9H11NO4S
MolecularWeight:
229.25294000000002
MdlNumber:
MFCD00121326
Smiles:
COC(=O)c1cccc(c1)NS(=O)(=O)C
NscNumber:
__
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCCCN(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCCCCN(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__