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832111-29-2 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene-3-acetic acid, methyl ester
CAS No: 832111-29-2 Catalog No: AG004UXM MDL No:
Product Description
Catalog Number:
AG004UXM
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene-3-acetic acid, methyl ester
CAS Number:
832111-29-2
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
methyl 2-(7-oxabicyclo[4.1.0]hepta-2,4-dien-3-yl)acetate
InChI:
InChI=1S/C9H10O3/c1-11-9(10)5-6-2-3-7-8(4-6)12-7/h2-4,7-8H,5H2,1H3
InChI Key:
KMFJGGGEUGEYAU-UHFFFAOYSA-N
SMILES:
COC(=O)CC1=CC2C(C=C1)O2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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