Name: Name:2-Benzylpropane-1,3-diol
Brand: Angene
SKU: AG002RS1
Rating: 90 (10 reviews)

2-Benzylpropane-1,3-diol

CAS No.:

2612-30-8

Catalog Number:

AG002RS1

Molecular Formula:

C10H14O2

Molecular Weight:

166.2170

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG002RS1

Chemical Name:

2-Benzylpropane-1,3-diol

CAS Number:

2612-30-8

Molecular Formula:

C10H14O2

Molecular Weight:

166.2170

MDL Number:

MFCD00666386

IUPAC Name:

2-benzylpropane-1,3-diol

InChI:

InChI=1S/C10H14O2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChI Key:

LODRGECCKZZTEQ-UHFFFAOYSA-N

SMILES:

OCC(Cc1ccccc1)CO

Properties

Complexity:

104

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.22g/mol

Monoisotopic Mass:

166.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Purification and characterisation of an ester hydrolase from a strain of Arthrobacter species: its application in asymmetrisation of 2-benzyl-1,3-propanediol acylates.	Bioorganic & medicinal chemistry 20010201