AB65201
623-39-2 | 3-Methoxy-1,2-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AB65201
ChemicalName
3-Methoxy-1,2-propanediol
CasNumber
623-39-2
MolecularFormula
C4H10O3
MolecularWeight
106.1204
MdlNumber
MFCD01863048
Smiles
COCC(CO)O
NscNumber
6752
Complexity
37.9
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-1.2
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CatalogNumber: AB65201
ChemicalName: 3-Methoxy-1,2-propanediol
CasNumber: 623-39-2
MolecularFormula: C4H10O3
MolecularWeight: 106.1204
MdlNumber: MFCD01863048
Smiles: COCC(CO)O
NscNumber: 6752
Complexity: 37.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -1.2
CatalogNumber:
AB65201
ChemicalName:
3-Methoxy-1,2-propanediol
CasNumber:
623-39-2
MolecularFormula:
C4H10O3
MolecularWeight:
106.1204
MdlNumber:
MFCD01863048
Smiles:
COCC(CO)O
NscNumber:
6752
Complexity:
37.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-1.2
CatalogNumber: AB65202
ChemicalName: 3-Methoxy-1-propyn-1-ylboronic acid, pinacol ester
CasNumber: 634196-63-7
MolecularFormula: C10H17BO3
MolecularWeight: 196.05117999999993
MdlNumber: MFCD08705273
Smiles: COCC#CB1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB65202
ChemicalName:
3-Methoxy-1-propyn-1-ylboronic acid, pinacol ester
CasNumber:
634196-63-7
MolecularFormula:
C10H17BO3
MolecularWeight:
196.05117999999993
MdlNumber:
MFCD08705273
Smiles:
COCC#CB1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(F)cc(c(c1F)C(=O)O)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(F)cc(c(c1F)C(=O)O)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__