Home Carbonyls 2-[4-(ethoxycarbonyl)oxan-4-yl]acetic acid

2-[4-(ethoxycarbonyl)oxan-4-yl]acetic acid

CAS No.:
2060030-52-4
Catalog Number:
AG01BR3A
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
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Product Description
Catalog Number:
AG01BR3A
Chemical Name:
2-[4-(ethoxycarbonyl)oxan-4-yl]acetic acid
CAS Number:
2060030-52-4
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
MDL Number:
MFCD30535691
IUPAC Name:
2-(4-ethoxycarbonyloxan-4-yl)acetic acid
InChI:
InChI=1S/C10H16O5/c1-2-15-9(13)10(7-8(11)12)3-5-14-6-4-10/h2-7H2,1H3,(H,11,12)
InChI Key:
BRPAOBTWWVIRKN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCOCC1)CC(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties