AB51079
4704-94-3 | 2-(Hydroxymethyl)propane-1,3-diol
Manufacturer: A2B Chem
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CatalogNumber
AB51079
ChemicalName
2-(Hydroxymethyl)propane-1,3-diol
CasNumber
4704-94-3
MolecularFormula
C4H10O3
MolecularWeight
106.1204
MdlNumber
MFCD00192217
Smiles
OCC(CO)CO
Complexity
28.4
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-1.6
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CatalogNumber: AB51079
ChemicalName: 2-(Hydroxymethyl)propane-1,3-diol
CasNumber: 4704-94-3
MolecularFormula: C4H10O3
MolecularWeight: 106.1204
MdlNumber: MFCD00192217
Smiles: OCC(CO)CO
Complexity: 28.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -1.6
CatalogNumber:
AB51079
ChemicalName:
2-(Hydroxymethyl)propane-1,3-diol
CasNumber:
4704-94-3
MolecularFormula:
C4H10O3
MolecularWeight:
106.1204
MdlNumber:
MFCD00192217
Smiles:
OCC(CO)CO
Complexity:
28.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccccc1c1ccccc1)O
Complexity: 190
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccccc1c1ccccc1)O
Complexity:
190
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51081
ChemicalName: 4-(2-Bromoethyl)-tetrahydropyran
CasNumber: 4677-20-7
MolecularFormula: C7H13BrO
MolecularWeight: 193.0815
MdlNumber: MFCD09800414
Smiles: BrCCC1CCOCC1
Complexity: 69.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB51081
ChemicalName:
4-(2-Bromoethyl)-tetrahydropyran
CasNumber:
4677-20-7
MolecularFormula:
C7H13BrO
MolecularWeight:
193.0815
MdlNumber:
MFCD09800414
Smiles:
BrCCC1CCOCC1
Complexity:
69.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: AB51082
ChemicalName: 3-Formyl-1H-indole-7-carbonitrile
CasNumber: 467451-63-4
MolecularFormula: C10H6N2O
MolecularWeight: 170.1674
MdlNumber: MFCD11110373
Smiles: O=Cc1c[nH]c2c1cccc2C#N
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB51082
ChemicalName:
3-Formyl-1H-indole-7-carbonitrile
CasNumber:
467451-63-4
MolecularFormula:
C10H6N2O
MolecularWeight:
170.1674
MdlNumber:
MFCD11110373
Smiles:
O=Cc1c[nH]c2c1cccc2C#N
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2