Home Other Building Blocks 2-methoxy-2-(oxan-3-yl)acetic acid

2-methoxy-2-(oxan-3-yl)acetic acid

CAS No.:
1598212-47-5
Catalog Number:
AG01DVQS
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
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Product Description
Catalog Number:
AG01DVQS
Chemical Name:
2-methoxy-2-(oxan-3-yl)acetic acid
CAS Number:
1598212-47-5
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD31617117
IUPAC Name:
2-methoxy-2-(oxan-3-yl)acetic acid
InChI:
InChI=1S/C8H14O4/c1-11-7(8(9)10)6-3-2-4-12-5-6/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key:
LDPJHBQQZAVYLA-UHFFFAOYSA-N
SMILES:
COC(C1CCCOC1)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:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties