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139262-16-1 | L-Serine, (4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamate (ester) (9CI)
CAS No: 139262-16-1 Catalog No: AG001ALM MDL No:
Product Description
Catalog Number:
AG001ALM
Chemical Name:
L-Serine, (4-methyl-2-oxo-2H-1-benzopyran-7-yl)carbamate (ester) (9CI)
CAS Number:
139262-16-1
Molecular Formula:
C14H19N3O7
Molecular Weight:
341.3166
IUPAC Name:
(2S)-2-amino-3-hydroxypropanoic acid;7-amino-4-methylchromen-2-one;carbamic acid
InChI:
InChI=1S/C10H9NO2.C3H7NO3.CH3NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;4-2(1-5)3(6)7;2-1(3)4/h2-5H,11H2,1H3;2,5H,1,4H2,(H,6,7);2H2,(H,3,4)/t;2-;/m.0./s1
InChI Key:
IXBAYVZZVBBOGG-TYOUJGAFSA-N
SMILES:
Nc1ccc2c(c1)oc(=O)cc2C.NC(=O)O.OC[C@@H](C(=O)O)N
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
341.32g/mol
Monoisotopic Mass:
341.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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