Benserazide Impurity 17

CAT: 1299-RM-B191817-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191817-02Size:25 mg

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

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CAS Number

39978-59-1

Synonyms

DL-Serine, ethyl ester; ethyl serinate

Molecular Formula

C5H11NO3

Molecular Weight

133.15

Target Alternative Name

Benserazide

Product Name Synonym

DL-Serine, ethyl ester; ethyl serinate

Chemical Information

Ethyl 2-amino-3-hydroxypropanoate

CAS Number	39978-59-1
PubChem CID	410488
IUPAC Name	ethyl 2-amino-3-hydroxypropanoate
Molecular Formula	C5H11NO3
Molecular Weight	133.15
XLogP	-1.1
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	94

SMILES

CCOC(=O)C(CO)N

InChI

InChI=1S/C5H11NO3/c1-2-9-5(8)4(6)3-7/h4,7H,2-3,6H2,1H3

InChIKey

GKCXXDSWWDWUHS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39978-59-1

CID: 410488

Formula: C5H11NO3

MW: 133.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.15
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	133.07389321
Monoisotopic Mass	133.07389321
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes