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1373609-37-0 | L-Proline, 4-(3-thienylmethyl)-, (4R)-
CAS No: 1373609-37-0 Catalog No: AG00135P MDL No:
Product Description
Catalog Number:
AG00135P
Chemical Name:
L-Proline, 4-(3-thienylmethyl)-, (4R)-
CAS Number:
1373609-37-0
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
IUPAC Name:
(2S,4R)-4-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H13NO2S/c12-10(13)9-4-8(5-11-9)3-7-1-2-14-6-7/h1-2,6,8-9,11H,3-5H2,(H,12,13)/t8-,9+/m1/s1
InChI Key:
NNVHLHOKPAPADH-BDAKNGLRSA-N
SMILES:
OC(=O)[C@H]1NC[C@@H](C1)Cc1cscc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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