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Home > Other Heterocycles > 72928-52-0
72928-52-0 | Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-, 2-formate
CAS No: 72928-52-0 Catalog No: AG005YTD MDL No:
Product Description
Catalog Number:
AG005YTD
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-methanol,6,6-dimethyl-, 2-formate
CAS Number:
72928-52-0
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl formate
InChI:
InChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3
InChI Key:
QHPJGDWWLWJMPM-UHFFFAOYSA-N
SMILES:
O=COCC1=CCC2CC1C2(C)C
EC Number:
277-082-1
FEMA Number:
3405
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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