Home Other Building Blocks 2-(OXEPAN-4-YL)ACETIC ACID

2-(OXEPAN-4-YL)ACETIC ACID

CAS No.:
1368356-50-6
Catalog Number:
AG01DTE7
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
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Product Description
Catalog Number:
AG01DTE7
Chemical Name:
2-(OXEPAN-4-YL)ACETIC ACID
CAS Number:
1368356-50-6
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD21124886
IUPAC Name:
2-(oxepan-4-yl)acetic acid
InChI:
InChI=1S/C8H14O3/c9-8(10)6-7-2-1-4-11-5-3-7/h7H,1-6H2,(H,9,10)
InChI Key:
UKYPDNNXQZWWRJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCOCCC1
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties