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101144-57-4 | L-Cysteine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-
CAS No: 101144-57-4 Catalog No: AG0003UG MDL No:
Product Description
Catalog Number:
AG0003UG
Chemical Name:
L-Cysteine, N-[(5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)carbonyl]-
CAS Number:
101144-57-4
Molecular Formula:
C14H14ClNO6S
Molecular Weight:
359.7821
IUPAC Name:
2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C14H14ClNO6S/c1-5-2-6-8(15)3-7(11(17)10(6)14(21)22-5)12(18)16-9(4-23)13(19)20/h3,5,9,17,23H,2,4H2,1H3,(H,16,18)(H,19,20)
InChI Key:
MKHQWKDSVSHXQF-UHFFFAOYSA-N
SMILES:
SC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c2c(c1O)C(=O)OC(C2)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
359.777g/mol
Monoisotopic Mass:
359.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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