AB47715
42287-97-8 | 3-Cyano-benzenepropanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47715
ChemicalName
3-Cyano-benzenepropanoic acid
CasNumber
42287-97-8
MolecularFormula
C10H9NO2
MolecularWeight
175.184
MdlNumber
MFCD08061831
Smiles
N#Cc1cccc(c1)CCC(=O)O
Complexity
228
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AB47715
ChemicalName: 3-Cyano-benzenepropanoic acid
CasNumber: 42287-97-8
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD08061831
Smiles: N#Cc1cccc(c1)CCC(=O)O
Complexity: 228
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB47715
ChemicalName:
3-Cyano-benzenepropanoic acid
CasNumber:
42287-97-8
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD08061831
Smiles:
N#Cc1cccc(c1)CCC(=O)O
Complexity:
228
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AB47716
ChemicalName: 2-Hydroxycyclopent-2-en-1-one
CasNumber: 10493-98-8
MolecularFormula: C5H6O2
MolecularWeight: 98.0999
MdlNumber: MFCD16251523
Smiles: O=C1CCC=C1O
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
AB47716
ChemicalName:
2-Hydroxycyclopent-2-en-1-one
CasNumber:
10493-98-8
MolecularFormula:
C5H6O2
MolecularWeight:
98.0999
MdlNumber:
MFCD16251523
Smiles:
O=C1CCC=C1O
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c[nH]c(=S)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c[nH]c(=S)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(CCl)O
Complexity: 32
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(CCl)O
Complexity:
32
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.5