Home Other Building Blocks 2-(1-hydroxycycloheptyl)acetic acid

2-(1-hydroxycycloheptyl)acetic acid

CAS No.:
99183-12-7
Catalog Number:
AG01AHYY
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
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Product Description
Catalog Number:
AG01AHYY
Chemical Name:
2-(1-hydroxycycloheptyl)acetic acid
CAS Number:
99183-12-7
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD16749087
IUPAC Name:
2-(1-hydroxycycloheptyl)acetic acid
InChI:
InChI=1S/C9H16O3/c10-8(11)7-9(12)5-3-1-2-4-6-9/h12H,1-7H2,(H,10,11)
InChI Key:
BUWXYMMPKVJGKZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(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:
2  
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties