Home Other Building Blocks 2-(4-tert-butylcyclohexylidene)acetic acid

2-(4-tert-butylcyclohexylidene)acetic acid

CAS No.:
13733-51-2
Catalog Number:
AG01A0K5
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
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Product Description
Catalog Number:
AG01A0K5
Chemical Name:
2-(4-tert-butylcyclohexylidene)acetic acid
CAS Number:
13733-51-2
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
MDL Number:
MFCD11124996
IUPAC Name:
2-(4-tert-butylcyclohexylidene)acetic acid
InChI:
InChI=1S/C12H20O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h8,10H,4-7H2,1-3H3,(H,13,14)
InChI Key:
ZFBQFTSUDMDMDU-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/1\CCC(CC1)C(C)(C)C
EC Number:
604-014-3
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties