Racecadotril EP Impurity E

CAT: 1596-AR-R01037-02Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R01037-02Size:100 Units

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CAS Number

5669-19-2

Synonyms

2-benzylacrylic acid;2-benzylprop-2-enoic acid;2-methylene-3-phenylpropanoic Acid;2- (phenylmethyl) -2-propenoic acid; Benzenepropanoic acid, alpha-methylene-

Molecular Formula

C10H10O2

Molecular Weight

162.19

API Name

Racecadotril

Chemical Information

2-Benzylacrylic Acid

CAS Number	5669-19-2
PubChem CID	303571
IUPAC Name	2-benzylprop-2-enoic acid
Molecular Formula	C10H10O2
Molecular Weight	162.18
XLogP	2.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	178

SMILES

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

InChI

InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)

InChIKey

RYNDYESLUKWOEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5669-19-2

CID: 303571

Formula: C10H10O2

MW: 162.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	162.18
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557
Monoisotopic Mass	162.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178
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

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AR-R01038-01	Racecadotril EP Impurity F
AR-R01036-01	Racecadotril EP Impurity D (Mixture of Diastereomers)
AR-R01039-01	Racecadotril EP Impurity H (Mixture of Diastereomers)
AR-R10203-01	Racecadotril Impurity 4
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RM-R010337-01	Racecadotril Impurity 37
RM-R010359-01	Racecadotril Impurity 59
RM-R010312-01	Racecadotril Impurity L
RM-R010318-01	Racecadotril Impurity R
RM-R010320-01	Racecadotril Impurity T
RM-R010354-01	Racecadotril Impurity 54
RM-R010355-01	Racecadotril Impurity 55
RM-R010341-01	Racecadotril Impurity 41
RM-R010339-01	Racecadotril Impurity 39
RM-R010357-01	Racecadotril Impurity 57

Racecadotril EP Impurity E

Chemical Information

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