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Home Other Building Blocks 2-(Isochroman-1-yl)acetic acid

2-(Isochroman-1-yl)acetic acid

CAS No.:
22901-11-7
Catalog Number:
AG002LFF
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$66
- +
250mg
95%
In Stock USA
United States
$123
- +
1g
95%
In Stock USA
United States
$262
- +
Product Description
Catalog Number:
AG002LFF
Chemical Name:
2-(Isochroman-1-yl)acetic acid
CAS Number:
22901-11-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00237168
IUPAC Name:
2-(3,4-dihydro-1H-isochromen-1-yl)acetic acid
InChI:
InChI=1S/C11H12O3/c12-11(13)7-10-9-4-2-1-3-8(9)5-6-14-10/h1-4,10H,5-7H2,(H,12,13)
InChI Key:
CTZWEXAQFFYMQD-UHFFFAOYSA-N
SMILES:
OC(=O)CC1OCCc2c1cccc2
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties