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159849-60-2 | 2H-Pyran-2-carboxylic acid, 3,6-dihydro-4,6-dimethyl-, trans- (9CI)
CAS No: 159849-60-2 Catalog No: AG001RGF MDL No:
Product Description
Catalog Number:
AG001RGF
Chemical Name:
2H-Pyran-2-carboxylic acid, 3,6-dihydro-4,6-dimethyl-, trans- (9CI)
CAS Number:
159849-60-2
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
(2R,6S)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylic acid
InChI:
InChI=1S/C8H12O3/c1-5-3-6(2)11-7(4-5)8(9)10/h3,6-7H,4H2,1-2H3,(H,9,10)/t6-,7+/m0/s1
InChI Key:
SJKWDXXWJOYAQD-NKWVEPMBSA-N
SMILES:
CC1=C[C@H](C)O[C@H](C1)C(=O)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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