Home Other Building Blocks 2-[2-(propan-2-yl)oxan-4-yl]acetic acid

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

CAS No.:
1343801-90-0
Catalog Number:
AG01A5ZK
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
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Product Description
Catalog Number:
AG01A5ZK
Chemical Name:
2-[2-(propan-2-yl)oxan-4-yl]acetic acid
CAS Number:
1343801-90-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD19651653
IUPAC Name:
2-(2-propan-2-yloxan-4-yl)acetic acid
InChI:
InChI=1S/C10H18O3/c1-7(2)9-5-8(3-4-13-9)6-10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)
InChI Key:
CAQOXHNBVLCOGG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCOC(C1)C(C)C
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties