(S) -1-Cbz-beta-prolinol

CAT: 0024-sc-272356Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-272356Size:10 mg

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CAS Number

124391-76-0

Chemical Information

Benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

CAS Number	124391-76-0
PubChem CID	11031839
IUPAC Name	benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Molecular Formula	C13H17NO3
Molecular Weight	235.28
XLogP	1.3
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	251

SMILES

C1CN(C[C@H]1CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1

InChIKey

ZRMWRJLLAVAFQP-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 124391-76-0

CID: 11031839

Formula: C13H17NO3

MW: 235.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.28
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	235.12084340
Monoisotopic Mass	235.12084340
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	251
Isotope Atom Count	0
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