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Home Other Building Blocks 3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLMETHANOL

3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLMETHANOL

CAS No.:
62823-14-7
Catalog Number:
AG00EU0N
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$528
- +
5g
1 week
United States
$2363
- +
Product Description
Catalog Number:
AG00EU0N
Chemical Name:
3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YLMETHANOL
CAS Number:
62823-14-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD02682039
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethanol
InChI:
InChI=1S/C10H12O3/c11-7-8-2-3-9-10(6-8)13-5-1-4-12-9/h2-3,6,11H,1,4-5,7H2
InChI Key:
FREFWPXUSXRBLF-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)OCCCO2
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties