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10226-28-5 | 2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-, ethyl ester
CAS No: 10226-28-5 Catalog No: AG00072J MDL No:MFCD00143102
Product Description
Catalog Number:
AG00072J
Chemical Name:
2H-Pyran-5-carboxylic acid, 3,4-dihydro-6-methyl-, ethyl ester
CAS Number:
10226-28-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00143102
IUPAC Name:
ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate
InChI:
InChI=1S/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3
InChI Key:
BWVSWJMSYLYIJA-UHFFFAOYSA-N
SMILES:
CC1=C(CCCO1)C(=O)OCC
EC Number:
233-543-9
NSC Number:
30277
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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