AB44599
621-37-4 | 3-Hydroxyphenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB44599
ChemicalName
3-Hydroxyphenylacetic acid
CasNumber
621-37-4
MolecularFormula
C8H8O3
MolecularWeight
152.1473
MdlNumber
MFCD00004337
Smiles
OC(=O)Cc1cccc(c1)O
NscNumber
14360
Complexity
144
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AB44599
ChemicalName: 3-Hydroxyphenylacetic acid
CasNumber: 621-37-4
MolecularFormula: C8H8O3
MolecularWeight: 152.1473
MdlNumber: MFCD00004337
Smiles: OC(=O)Cc1cccc(c1)O
NscNumber: 14360
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB44599
ChemicalName:
3-Hydroxyphenylacetic acid
CasNumber:
621-37-4
MolecularFormula:
C8H8O3
MolecularWeight:
152.1473
MdlNumber:
MFCD00004337
Smiles:
OC(=O)Cc1cccc(c1)O
NscNumber:
14360
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1CCCNC1
NscNumber: __
Complexity: 56
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1CCCNC1
NscNumber:
__
Complexity:
56
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.3
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