Home Carboxys 1-methoxycycloheptane-1-carboxylic acid

1-methoxycycloheptane-1-carboxylic acid

CAS No.:
232940-60-2
Catalog Number:
AG01CA7A
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01CA7A
Chemical Name:
1-methoxycycloheptane-1-carboxylic acid
CAS Number:
232940-60-2
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD14635150
IUPAC Name:
1-methoxycycloheptane-1-carboxylic acid
InChI:
InChI=1S/C9H16O3/c1-12-9(8(10)11)6-4-2-3-5-7-9/h2-7H2,1H3,(H,10,11)
InChI Key:
YYFSALMAZAZGDA-UHFFFAOYSA-N
SMILES:
COC1(CCCCCC1)C(=O)O
Properties
Complexity:
157  
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:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties