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1225797-27-2 | 2-(4-m-Tolyl-tetrahydro-2H-pyran-4-yl)acetic acid
CAS No: 1225797-27-2 Catalog No: AG01F97C MDL No:
Product Description
Catalog Number:
AG01F97C
Chemical Name:
2-(4-m-Tolyl-tetrahydro-2H-pyran-4-yl)acetic acid
CAS Number:
1225797-27-2
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
2-[4-(3-methylphenyl)oxan-4-yl]acetic acid
InChI:
InChI=1S/C14H18O3/c1-11-3-2-4-12(9-11)14(10-13(15)16)5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3,(H,15,16)
InChI Key:
HFIUXBNAQDNFER-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(CCOCC1)c1cccc(c1)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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