Home Other Building Blocks (3-methyloxan-3-yl)methanol

(3-methyloxan-3-yl)methanol

CAS No.:
1701597-02-5
Catalog Number:
AG01B7GB
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
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Product Description
Catalog Number:
AG01B7GB
Chemical Name:
(3-methyloxan-3-yl)methanol
CAS Number:
1701597-02-5
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD21672534
IUPAC Name:
(3-methyloxan-3-yl)methanol
InChI:
InChI=1S/C7H14O2/c1-7(5-8)3-2-4-9-6-7/h8H,2-6H2,1H3
InChI Key:
ZDUYVBQDMRAWBD-UHFFFAOYSA-N
SMILES:
OCC1(C)CCCOC1
Properties
Complexity:
92.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties