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23537-25-9 | L-Alanine, 3-sulfo-, hydrate (1:1)
CAS No: 23537-25-9 Catalog No: AG002NM8 MDL No:MFCD00149544
Product Description
Catalog Number:
AG002NM8
Chemical Name:
L-Alanine, 3-sulfo-, hydrate (1:1)
CAS Number:
23537-25-9
Molecular Formula:
C3H9NO6S
Molecular Weight:
187.1717
MDL Number:
MFCD00149544
IUPAC Name:
(2R)-2-amino-3-sulfopropanoic acid;hydrate
InChI:
InChI=1S/C3H7NO5S.H2O/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H2/t2-;/m0./s1
InChI Key:
PCPIXZZGBZWHJO-DKWTVANSSA-N
SMILES:
OC(=O)[C@H](CS(=O)(=O)O)N.O
UNII:
VN8X20T18R
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
187.166g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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