L-Proline-1-13C

CAT: 0024-sc-257652Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-257652Size:250 mg

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CAS Number

81202-06-4

Chemical Information

L-(~13~C)Proline

CAS Number	81202-06-4
PubChem CID	16217408
IUPAC Name	(2S)-pyrrolidine-2-carboxylic acid
Molecular Formula	C5H9NO2
Molecular Weight	116.12
XLogP	-2.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	103

SMILES

C1C[C@H](NC1)[13C](=O)O

InChI

InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/i5+1

InChIKey

ONIBWKKTOPOVIA-TXZHAAMZSA-N

Chemical Structure

2D Structure

CAS: 81202-06-4

CID: 16217408

Formula: C5H9NO2

MW: 116.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	116.12
XLogP3	-2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	116.066683365
Monoisotopic Mass	116.066683365
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	103
Isotope Atom Count	1
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes