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131062-05-0 | 2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-(1-methylethyl)-, ethyl ester
CAS No: 131062-05-0 Catalog No: AG000VGD MDL No:
Product Description
Catalog Number:
AG000VGD
Chemical Name:
2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-(1-methylethyl)-, ethyl ester
CAS Number:
131062-05-0
Molecular Formula:
C11H18O3
Molecular Weight:
198.2588
IUPAC Name:
ethyl 6-propan-2-yl-3,4-dihydro-2H-pyran-5-carboxylate
InChI:
InChI=1S/C11H18O3/c1-4-13-11(12)9-6-5-7-14-10(9)8(2)3/h8H,4-7H2,1-3H3
InChI Key:
BAFVCKOGGQHGNI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(OCCC1)C(C)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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