AB44601
109-78-4 | 3-Hydroxypropionitrile
Manufacturer: A2B Chem
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CatalogNumber
AB44601
ChemicalName
3-Hydroxypropionitrile
CasNumber
109-78-4
MolecularFormula
C3H5NO
MolecularWeight
71.0779
MdlNumber
MFCD00002826
Smiles
OCCC#N
NscNumber
2598
Complexity
51.2
Covalently-bondedUnitCount
1
HeavyAtomCount
5
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
-0.9
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CatalogNumber: AB44601
ChemicalName: 3-Hydroxypropionitrile
CasNumber: 109-78-4
MolecularFormula: C3H5NO
MolecularWeight: 71.0779
MdlNumber: MFCD00002826
Smiles: OCCC#N
NscNumber: 2598
Complexity: 51.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 5
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.9
CatalogNumber:
AB44601
ChemicalName:
3-Hydroxypropionitrile
CasNumber:
109-78-4
MolecularFormula:
C3H5NO
MolecularWeight:
71.0779
MdlNumber:
MFCD00002826
Smiles:
OCCC#N
NscNumber:
2598
Complexity:
51.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
5
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.9
CatalogNumber: AB44602
ChemicalName: 3-Hydroxyquinoline
CasNumber: 580-18-7
MolecularFormula: C9H7NO
MolecularWeight: 145.158
MdlNumber: MFCD00169018
Smiles: Oc1cnc2c(c1)cccc2
NscNumber: __
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AB44602
ChemicalName:
3-Hydroxyquinoline
CasNumber:
580-18-7
MolecularFormula:
C9H7NO
MolecularWeight:
145.158
MdlNumber:
MFCD00169018
Smiles:
Oc1cnc2c(c1)cccc2
NscNumber:
__
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AB44603
ChemicalName: 3-Hydroxythiophenol
CasNumber: 40248-84-8
MolecularFormula: C6H6OS
MolecularWeight: 126.1762
MdlNumber: MFCD01317829
Smiles: Oc1cccc(c1)S
NscNumber: __
Complexity: 74.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
AB44603
ChemicalName:
3-Hydroxythiophenol
CasNumber:
40248-84-8
MolecularFormula:
C6H6OS
MolecularWeight:
126.1762
MdlNumber:
MFCD01317829
Smiles:
Oc1cccc(c1)S
NscNumber:
__
Complexity:
74.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)/C=C/c1c[nH]c2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)/C=C/c1c[nH]c2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__