Home Other Building Blocks 3-(4-methyloxan-4-yl)prop-2-enoic acid

3-(4-methyloxan-4-yl)prop-2-enoic acid

CAS No.:
1255710-94-1
Catalog Number:
AG01AUG8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG01AUG8
Chemical Name:
3-(4-methyloxan-4-yl)prop-2-enoic acid
CAS Number:
1255710-94-1
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD20660885
IUPAC Name:
3-(4-methyloxan-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H14O3/c1-9(3-2-8(10)11)4-6-12-7-5-9/h2-3H,4-7H2,1H3,(H,10,11)
InChI Key:
HKIOWCXWEADEPM-UHFFFAOYSA-N
SMILES:
OC(=O)C=CC1(C)CCOCC1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.2  
Properties