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7478-68-4 | 1-Phenanthrenebutanoicacid, 1,2,3,4-tetrahydro-
CAS No: 7478-68-4 Catalog No: AG005H9P MDL No:
Product Description
Catalog Number:
AG005H9P
Chemical Name:
1-Phenanthrenebutanoicacid, 1,2,3,4-tetrahydro-
CAS Number:
7478-68-4
Molecular Formula:
C18H20O2
Molecular Weight:
268.3502
IUPAC Name:
4-(1,2,3,4-tetrahydrophenanthren-1-yl)butanoic acid
InChI:
InChI=1S/C18H20O2/c19-18(20)10-4-7-13-6-3-9-17-15-8-2-1-5-14(15)11-12-16(13)17/h1-2,5,8,11-13H,3-4,6-7,9-10H2,(H,19,20)
InChI Key:
ZNJCQFALOSSXNH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC1CCCc2c1ccc1c2cccc1
NSC Number:
401518
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.146g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.356g/mol
Monoisotopic Mass:
268.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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