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Home > Other Heterocycles > 30982-36-6
30982-36-6 | 2-Propenoic acid, 3-phenyl-, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl ester
CAS No: 30982-36-6 Catalog No: AG0031U5 MDL No:
Product Description
Catalog Number:
AG0031U5
Chemical Name:
2-Propenoic acid, 3-phenyl-, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl ester
CAS Number:
30982-36-6
Molecular Formula:
C20H24O2
Molecular Weight:
296.4034
IUPAC Name:
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C20H24O2/c1-20(2)17-10-9-16(18(20)14-17)12-13-22-19(21)11-8-15-6-4-3-5-7-15/h3-9,11,17-18H,10,12-14H2,1-2H3/b11-8+
InChI Key:
STMQAGGBZBGMNQ-DHZHZOJOSA-N
SMILES:
O=C(C=Cc1ccccc1)OCCC1=CCC2CC1C2(C)C
EC Number:
250-413-7
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
296.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.41g/mol
Monoisotopic Mass:
296.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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