AC40697
83278-86-8 | 3,4-Dihydro-2h-chromen-2-ylmethanol
Manufacturer: A2B Chem
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CatalogNumber
AC40697
ChemicalName
3,4-Dihydro-2h-chromen-2-ylmethanol
CasNumber
83278-86-8
MolecularFormula
C10H12O2
MolecularWeight
164.20107999999996
MdlNumber
MFCD06658990
Smiles
OCC1CCc2c(O1)cccc2
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.7
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CatalogNumber: AC40697
ChemicalName: 3,4-Dihydro-2h-chromen-2-ylmethanol
CasNumber: 83278-86-8
MolecularFormula: C10H12O2
MolecularWeight: 164.20107999999996
MdlNumber: MFCD06658990
Smiles: OCC1CCc2c(O1)cccc2
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.7
CatalogNumber:
AC40697
ChemicalName:
3,4-Dihydro-2h-chromen-2-ylmethanol
CasNumber:
83278-86-8
MolecularFormula:
C10H12O2
MolecularWeight:
164.20107999999996
MdlNumber:
MFCD06658990
Smiles:
OCC1CCc2c(O1)cccc2
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.7
CatalogNumber: AC40704
ChemicalName: 1H-Pyrazol-1-ol
CasNumber: 81945-73-5
MolecularFormula: C3H4N2O
MolecularWeight: 84.0767
MdlNumber: MFCD11850516
Smiles: On1cccn1
Complexity: 48.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.3
CatalogNumber:
AC40704
ChemicalName:
1H-Pyrazol-1-ol
CasNumber:
81945-73-5
MolecularFormula:
C3H4N2O
MolecularWeight:
84.0767
MdlNumber:
MFCD11850516
Smiles:
On1cccn1
Complexity:
48.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H](CC#C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H](CC#C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1C[C@H](C[C@H]1C(=O)[O-])Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C.O=C(N1C[C@H](C[C@H]1C(=O)[O-])Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C.[Ca+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1C[C@H](C[C@H]1C(=O)[O-])Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C.O=C(N1C[C@H](C[C@H]1C(=O)[O-])Sc1ccccc1)[C@@H](CSC(=O)c1ccccc1)C.[Ca+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__