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71215-49-1 | Bicyclo[2.1.0]pent-2-ene-5-carboxylicacid, 1,5-dimethyl-, methyl ester, (1a,4a,5a)- (9CI)
CAS No: 71215-49-1 Catalog No: AG005K9A MDL No:
Product Description
Catalog Number:
AG005K9A
Chemical Name:
Bicyclo[2.1.0]pent-2-ene-5-carboxylicacid, 1,5-dimethyl-, methyl ester, (1a,4a,5a)- (9CI)
CAS Number:
71215-49-1
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
methyl 1,5-dimethylbicyclo[2.1.0]pent-2-ene-5-carboxylate
InChI:
InChI=1S/C9H12O2/c1-8-5-4-6(8)9(8,2)7(10)11-3/h4-6H,1-3H3
InChI Key:
FFHFWUYSIHEVKH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)C2C1(C)C=C2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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