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30982-35-5 | Benzeneacetic acid, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl ester
CAS No: 30982-35-5 Catalog No: AG0031U6 MDL No:
Product Description
Catalog Number:
AG0031U6
Chemical Name:
Benzeneacetic acid, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl ester
CAS Number:
30982-35-5
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-phenylacetate
InChI:
InChI=1S/C19H24O2/c1-19(2)16-9-8-15(17(19)13-16)10-11-21-18(20)12-14-6-4-3-5-7-14/h3-8,16-17H,9-13H2,1-2H3
InChI Key:
FPJNFQPRCFYLDD-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)OCCC1=CCC2CC1C2(C)C
EC Number:
250-412-1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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