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13073-19-3 | L-Homocysteine, S-propyl-
CAS No: 13073-19-3 Catalog No: AG000UVS MDL No:
Product Description
Catalog Number:
AG000UVS
Chemical Name:
L-Homocysteine, S-propyl-
CAS Number:
13073-19-3
Molecular Formula:
C7H15NO2S
Molecular Weight:
177.2645
IUPAC Name:
(2S)-2-amino-4-propylsulfanylbutanoic acid
InChI:
InChI=1S/C7H15NO2S/c1-2-4-11-5-3-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-/m0/s1
InChI Key:
MFCVASZUOWEOHT-LURJTMIESA-N
SMILES:
CCCSCC[C@@H](C(=O)O)N
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.262g/mol
Monoisotopic Mass:
177.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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