AB69451
613-84-3 | 2-Hydroxy-5-methylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB69451
ChemicalName
2-Hydroxy-5-methylbenzaldehyde
CasNumber
613-84-3
MolecularFormula
C8H8O2
MolecularWeight
136.14792
MdlNumber
MFCD00274297
Smiles
O=Cc1cc(C)ccc1O
NscNumber
97517
Complexity
122
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AB69451
ChemicalName: 2-Hydroxy-5-methylbenzaldehyde
CasNumber: 613-84-3
MolecularFormula: C8H8O2
MolecularWeight: 136.14792
MdlNumber: MFCD00274297
Smiles: O=Cc1cc(C)ccc1O
NscNumber: 97517
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB69451
ChemicalName:
2-Hydroxy-5-methylbenzaldehyde
CasNumber:
613-84-3
MolecularFormula:
C8H8O2
MolecularWeight:
136.14792
MdlNumber:
MFCD00274297
Smiles:
O=Cc1cc(C)ccc1O
NscNumber:
97517
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cncs1
NscNumber: __
Complexity: 46.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cncs1
NscNumber:
__
Complexity:
46.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1n[nH]c(=S)s1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1n[nH]c(=S)s1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB69454
ChemicalName: 5-Methylthiophene-2,3-dicarboxylic acid
CasNumber: 46029-22-5
MolecularFormula: C7H6O4S
MolecularWeight: 186.1851
MdlNumber: MFCD14705596
Smiles: Cc1cc(c(s1)C(=O)O)C(=O)O
NscNumber: __
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB69454
ChemicalName:
5-Methylthiophene-2,3-dicarboxylic acid
CasNumber:
46029-22-5
MolecularFormula:
C7H6O4S
MolecularWeight:
186.1851
MdlNumber:
MFCD14705596
Smiles:
Cc1cc(c(s1)C(=O)O)C(=O)O
NscNumber:
__
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4