Plerixafor Impurity M

CAT: 1299-RM-P122413-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P122413-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

589-29-7

Synonyms

1,4-phenylenedimethanol

Molecular Formula

C8H10O2

Molecular Weight

138.16

Target Alternative Name

Plerixafor

Product Name Synonym

1,4-phenylenedimethanol

Chemical Information

1,4-Benzenedimethanol

CAS Number	589-29-7
PubChem CID	11506
IUPAC Name	[4-(hydroxymethyl)phenyl]methanol
Molecular Formula	C8H10O2
Molecular Weight	138.16
XLogP	0.3
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	73

SMILES

C1=CC(=CC=C1CO)CO

InChI

InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2

InChIKey

BWVAOONFBYYRHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 589-29-7

CID: 11506

Formula: C8H10O2

MW: 138.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.16
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	138.068079557
Monoisotopic Mass	138.068079557
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	73.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes