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89639-85-0 | 2-OXABICYCLO[3.1.0]HEX-3-ENE-6-CARBOXYLIC ACID METHYL ESTER
CAS No: 89639-85-0 Catalog No: AG003WHU MDL No:
Product Description
Catalog Number:
AG003WHU
Chemical Name:
2-OXABICYCLO[3.1.0]HEX-3-ENE-6-CARBOXYLIC ACID METHYL ESTER
CAS Number:
89639-85-0
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
methyl 2-oxabicyclo[3.1.0]hex-3-ene-6-carboxylate
InChI:
InChI=1S/C7H8O3/c1-9-7(8)5-4-2-3-10-6(4)5/h2-6H,1H3
InChI Key:
DZFWDBPAHMWYPV-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2C1OC=C2
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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