Cladribine EP Impurity G

CAT: 1506-KL-02-00672Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1506-KL-02-00672Size:100 mg

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CAS Number

99-75-2

Specifications

Impurity

Chemical Information

Methyl 4-methylbenzoate

Opaque colorless to white shiny crystalline solid. Intense unpleasant odor. (NTP, 1992)

CAS Number	99-75-2
PubChem CID	7455
IUPAC Name	methyl 4-methylbenzoate
Molecular Formula	C9H10O2
Molecular Weight	150.17
XLogP	2.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	134

SMILES

CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3

InChIKey

QSSJZLPUHJDYKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-75-2

CID: 7455

Formula: C9H10O2

MW: 150.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.17
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557
Monoisotopic Mass	150.068079557
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	134
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

Catalog	Name
KL-02-00671	Cladribine EP Impurity F
KL-02-01417	Lacosamide EP Impurity G
KL-02-01401-01	Losartan EP Impurity G
KL-02-01505-01	Mesalazine EP Impurity G
KL-02-01999	Pravastatin EP Impurity G (sodium salt)
KL-02-02027	Promethazine EP Impurity A
KL-02-01624	Oxaliplatin EP Impurity A
KL-02-00733	Doxazosin EP Impurity A
KL-02-00517-01	Ciprofloxacin EP Impurity A
KL-02-00191-01	Azelastine EP Impurity A

Catalog	Name
RM-C015901-01	Cladribine EP Impurity A
RM-C015911-01	Cladribine Impurity 1
AR-C03019-01	Cladribine Impurity E
IC179959-01	Cladribine Impurity D
AR-C07821-01	Cladribine Impurity 2
RM-C015902-01	Cladribine EP Impurity B
RM-C015910-01	Cladribine EP Impurity C
RM-C015906-01	Cladribine EP Impurity F
AR-C07820-01	Cladribine Mono Benzoate Impurity
RM-C015907-01	Cladribine EP Impurity G