Home Other Building Blocks 2-(3-HYDROXYOXAN-3-YL)ACETIC ACID

2-(3-HYDROXYOXAN-3-YL)ACETIC ACID

CAS No.:
1339401-07-8
Catalog Number:
AG01EK5L
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
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Product Description
Catalog Number:
AG01EK5L
Chemical Name:
2-(3-HYDROXYOXAN-3-YL)ACETIC ACID
CAS Number:
1339401-07-8
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD19670627
IUPAC Name:
2-(3-hydroxyoxan-3-yl)acetic acid
InChI:
InChI=1S/C7H12O4/c8-6(9)4-7(10)2-1-3-11-5-7/h10H,1-5H2,(H,8,9)
InChI Key:
HTPPTUMNBCLHCG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1(O)CCCOC1
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties