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124356-21-4 | 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-7-hydroxy-, (S)- (9CI)
CAS No: 124356-21-4 Catalog No: AG000LX7 MDL No:
Product Description
Catalog Number:
AG000LX7
Chemical Name:
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-7-hydroxy-, (S)- (9CI)
CAS Number:
124356-21-4
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
(2S)-7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
InChI:
InChI=1S/C10H10O4/c11-7-3-1-6-2-4-8(10(12)13)14-9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13)/t8-/m0/s1
InChI Key:
NONJZGQBLPTNTD-QMMMGPOBSA-N
SMILES:
OC(=O)[C@@H]1CCc2c(O1)cc(cc2)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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