Home Carboxys 1-Hydroxy-cycloheptanecarboxylic acid methyl ester

1-Hydroxy-cycloheptanecarboxylic acid methyl ester

CAS No.:
62791-48-4
Catalog Number:
AG00EG0Y
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG00EG0Y
Chemical Name:
1-Hydroxy-cycloheptanecarboxylic acid methyl ester
CAS Number:
62791-48-4
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD09817660
IUPAC Name:
methyl 1-hydroxycycloheptane-1-carboxylate
InChI:
InChI=1S/C9H16O3/c1-12-8(10)9(11)6-4-2-3-5-7-9/h11H,2-7H2,1H3
InChI Key:
MEKKVFIHTHEWMG-UHFFFAOYSA-N
SMILES:
COC(=O)C1(O)CCCCCC1
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:
1.6  
Properties