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99946-16-4 | (1R,4S)-BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID METHYL ESTER
CAS No: 99946-16-4 Catalog No: AG003VIM MDL No:
Product Description
Catalog Number:
AG003VIM
Chemical Name:
(1R,4S)-BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID METHYL ESTER
CAS Number:
99946-16-4
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
methyl (1R,4S)-bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
InChI:
InChI=1S/C9H10O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,5-7H,4H2,1H3/t6-,7+/m1/s1
InChI Key:
ABYXLSPPPNXLTQ-RQJHMYQMSA-N
SMILES:
COC(=O)C1=C[C@H]2C[C@@H]1C=C2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
150.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.177g/mol
Monoisotopic Mass:
150.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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