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101053-08-1

101053-08-1 | Bicyclo[2.2.1]heptane-2,3-diol, 1,7,7-trimethyl-, 2,3-diacetate

CAS No: 101053-08-1 Catalog No: AG0003MO MDL No:

Product Description

Catalog Number:
AG0003MO
Chemical Name:
Bicyclo[2.2.1]heptane-2,3-diol, 1,7,7-trimethyl-, 2,3-diacetate
CAS Number:
101053-08-1
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
acetic acid;1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
InChI:
InChI=1S/C10H18O2.2C2H4O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11;2*1-2(3)4/h6-8,11-12H,4-5H2,1-3H3;2*1H3,(H,3,4)
InChI Key:
SFUMFCCJDPQAAL-UHFFFAOYSA-N
SMILES:
CC(=O)OC1C2CCC(C1OC(=O)C)(C2(C)C)C

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.173g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
290.356g/mol
Monoisotopic Mass:
290.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0

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