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869947-98-8 | 2-(5,6,7,8-TETRAHYDRO-2-NAPHTHALENYLOXY)BUTANOIC ACID
CAS No: 869947-98-8 Catalog No: AG004NW9 MDL No:MFCD08691908
Product Description
Catalog Number:
AG004NW9
Chemical Name:
2-(5,6,7,8-TETRAHYDRO-2-NAPHTHALENYLOXY)BUTANOIC ACID
CAS Number:
869947-98-8
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD08691908
IUPAC Name:
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
InChI:
InChI=1S/C14H18O3/c1-2-13(14(15)16)17-12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,2-6H2,1H3,(H,15,16)
InChI Key:
YMERGXVWLWRYGI-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Oc1ccc2c(c1)CCCC2
Properties
Complexity:
264
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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