Home Other Building Blocks 2-cycloheptyl-2-(4-methoxyphenyl)acetic acid

2-cycloheptyl-2-(4-methoxyphenyl)acetic acid

CAS No.:
1557654-24-6
Catalog Number:
AG01DVNV
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
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Product Description
Catalog Number:
AG01DVNV
Chemical Name:
2-cycloheptyl-2-(4-methoxyphenyl)acetic acid
CAS Number:
1557654-24-6
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
MDL Number:
MFCD26200491
IUPAC Name:
2-cycloheptyl-2-(4-methoxyphenyl)acetic acid
InChI:
InChI=1S/C16H22O3/c1-19-14-10-8-13(9-11-14)15(16(17)18)12-6-4-2-3-5-7-12/h8-12,15H,2-7H2,1H3,(H,17,18)
InChI Key:
DQXVRUJNOVSSRJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(=O)O)C1CCCCCC1
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.157g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.349g/mol
Monoisotopic Mass:
262.157g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties