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149560-23-6 | 7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-hydroxy-, (1S,5R,6R)-
CAS No: 149560-23-6 Catalog No: AG001LTG MDL No:
Product Description
Catalog Number:
AG001LTG
Chemical Name:
7-Oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 5-hydroxy-, (1S,5R,6R)-
CAS Number:
149560-23-6
Molecular Formula:
C7H8O4
Molecular Weight:
156.1360
IUPAC Name:
(1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
InChI:
InChI=1S/C7H8O4/c8-4-1-3(7(9)10)2-5-6(4)11-5/h1,4-6,8H,2H2,(H,9,10)/t4-,5+,6-/m1/s1
InChI Key:
FDFYOUAXVFBEGC-NGJCXOISSA-N
SMILES:
O[C@@H]1C=C(C[C@H]2[C@@H]1O2)C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
156.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.137g/mol
Monoisotopic Mass:
156.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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