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1439896-77-1 | 2-(4-Ethyl-tetrahydro-2H-pyran-4-yl)acetic acid
CAS No: 1439896-77-1 Catalog No: AG01F9UP MDL No:
Product Description
Catalog Number:
AG01F9UP
Chemical Name:
2-(4-Ethyl-tetrahydro-2H-pyran-4-yl)acetic acid
CAS Number:
1439896-77-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
2-(4-ethyloxan-4-yl)acetic acid
InChI:
InChI=1S/C9H16O3/c1-2-9(7-8(10)11)3-5-12-6-4-9/h2-7H2,1H3,(H,10,11)
InChI Key:
RLCBBLMWDAUQQL-UHFFFAOYSA-N
SMILES:
CCC1(CCOCC1)CC(=O)O
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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