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2-(Benzyloxy)-1-propanol

CAT: 0572-TRC-B286900-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B286900-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70448-03-2
Synonyms
2-(Phenylmethoxy)-1-propanol
Hazard Statement
No Data Available
Smiles
COc1ccc(CC(C)N(CC(O)c2ccc(OCc3ccccc3)c(NC=O)c2)Cc4ccccc4)cc1
Molecular Formula
C10H14O2
Molecular Weight
166.22
Shipping Conditions
Room Temperature

Chemical Information

2-(Benzyloxy)propan-1-ol
CAS Number70448-03-2
PubChem CID561825
IUPAC Name2-phenylmethoxypropan-1-ol
Molecular FormulaC10H14O2
Molecular Weight166.22
XLogP1.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity108
SMILES
CC(CO)OCC1=CC=CC=C1
InChI
InChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKey
BWCRDMRLKBPUTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Benzyloxy)propan-1-ol
CAS: 70448-03-2
CID: 561825
Formula: C10H14O2
MW: 166.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight166.22
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass166.099379685
Monoisotopic Mass166.099379685
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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VCA44803-012- (Benzyloxy) -1-propanol
1583871-Benzyloxy-2-propanol
267030-01S- (+) -1-Benzyloxy-2-propanol
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263813-01(R) - (-) -1-Benzyloxy-2-propanol
408873-011-Benzyloxy-2-propanol-d6
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