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139658-04-1 | 2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-methoxy-2,5,7,8-tetramethyl-, (2R)-
CAS No: 139658-04-1 Catalog No: AG001BG5 MDL No:
Product Description
Catalog Number:
AG001BG5
Chemical Name:
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-methoxy-2,5,7,8-tetramethyl-, (2R)-
CAS Number:
139658-04-1
Molecular Formula:
C15H20O4
Molecular Weight:
264.3169
IUPAC Name:
(2R)-6-methoxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylic acid
InChI:
InChI=1S/C15H20O4/c1-8-9(2)13-11(10(3)12(8)18-5)6-7-15(4,19-13)14(16)17/h6-7H2,1-5H3,(H,16,17)/t15-/m1/s1
InChI Key:
MNBMVDGIDVXTOF-OAHLLOKOSA-N
SMILES:
COc1c(C)c(C)c2c(c1C)CC[C@](O2)(C)C(=O)O
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
264.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.321g/mol
Monoisotopic Mass:
264.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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